tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate

C17H32N2O4 — CID 165166781

IUPACtert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-11(2)9-12(19-15(22)16(3,4)5)14(21)18-10-13(20)23-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyRSXOLGVRTXYNEL-LBPRGKRZSA-N
MW328.45 g/mol
LogP2.02
Rot. Bonds6

About tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate

tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate (PubChem CID 165166781) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate
PubChem CID165166781
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate
SMILESCC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-11(2)9-12(19-15(22)16(3,4)5)14(21)18-10-13(20)23-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyRSXOLGVRTXYNEL-LBPRGKRZSA-N
XLogP2.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]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

ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 10041457
ethyl 2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 14236920
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 7018767
tert-butyl 2-[[4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]acetate
CID 78098380
tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
tert-butyl 2-[[4-methyl-2-[(4-methylsulfinylphenyl)carbamoylamino]pentanoyl]amino]acetate
CID 78098329
tert-butyl 2-(2-hydroxypropanoylamino)acetate
CID 169085959
(2S)-2-(2,2-dimethylpropanoylamino)-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351223
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 11072088
tert-butyl 2-[(2-acetamido-3-methylbutanoyl)amino]acetate
CID 142198552
tert-butyl N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 135363955
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate (CID 165166781) is tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate is CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate?
The InChIKey is RSXOLGVRTXYNEL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-11(2)9-12(19-15(22)16(3,4)5)14(21)18-10-13(20)23-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate?
tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate has a molecular weight of 328.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(2S)-2-(2,2-dimethylpropanoylamino)-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 165166781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).