tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate

C24H36N4O7 — CID 10838850

IUPACtert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate
SMILESCC(C)[C@](C)(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C24H36N4O7/c1-16(2)24(6,21(32)26-14-20(31)35-23(3,4)5)28-19(30)13-25-18(29)12-27-22(33)34-15-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3,(H,25,29)(H,26,32)(H,27,33)(H,28,30)/t24-/m0/s1
InChIKeyIOFMBAUCDAGMDO-DEOSSOPVSA-N
MW492.57 g/mol
LogP1.02
Rot. Bonds11

About tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate

tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate (PubChem CID 10838850) has the molecular formula C24H36N4O7 and a molecular weight of 492.57 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate
PubChem CID10838850
Molecular FormulaC24H36N4O7
Molecular Weight492.57 g/mol
Exact Mass492.26
IUPAC Nametert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate
SMILESCC(C)[C@](C)(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C24H36N4O7/c1-16(2)24(6,21(32)26-14-20(31)35-23(3,4)5)28-19(30)13-25-18(29)12-27-22(33)34-15-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3,(H,25,29)(H,26,32)(H,27,33)(H,28,30)/t24-/m0/s1
InChIKeyIOFMBAUCDAGMDO-DEOSSOPVSA-N
XLogP1.02
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propoxy]propanoate
CID 66510771
tert-butyl (2R)-3-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 66843039
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
benzyl 3-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 175453126
benzyl 2-[[2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]acetyl]amino]acetate
CID 131720212
benzyl (4S)-4-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]acetyl]amino]-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-5-oxopentanoate
CID 102113692
tert-butyl N-[2-oxo-2-[[2-oxo-2-(phenylmethoxyamino)ethyl]amino]ethyl]carbamate
CID 10382434
benzyl (3R)-3-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-4-oxobutanoate
CID 158977927
tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[1-(phenylmethoxycarbonylamino)propan-2-yl]amino]acetate
CID 23510759
tert-butyl 2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]acetate
CID 10412070
benzyl N-[2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-oxoethyl]carbamate
CID 11449782
calcium;bis(2-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]propanoate);dihydrate
CID 139088616

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate (CID 10838850) is tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate is CC(C)[C@](C)(NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate?
The InChIKey is IOFMBAUCDAGMDO-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H36N4O7/c1-16(2)24(6,21(32)26-14-20(31)35-23(3,4)5)28-19(30)13-25-18(29)12-27-22(33)34-15-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3,(H,25,29)(H,26,32)(H,27,33)(H,28,30)/t24-/m0/s1.
What are the key properties of tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate?
tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate has a molecular weight of 492.57 g/mol, XLogP of 1.02, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S)-2,3-dimethyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoyl]amino]acetate is sourced from PubChem (CID 10838850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).