tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate

C17H32N2O5 — CID 75381012

IUPACtert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-11(2)9-12(14(21)23-16(3,4)5)19-13(20)10-18-15(22)24-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeySAUGMVHPGMNKFD-LBPRGKRZSA-N
MW344.45 g/mol
LogP2.38
Rot. Bonds6

About tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate

tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate (PubChem CID 75381012) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate.

Molecular Properties

Compound Nametert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate
PubChem CID75381012
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nametert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate
SMILESCC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-11(2)9-12(14(21)23-16(3,4)5)19-13(20)10-18-15(22)24-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,22)(H,19,20)/t12-/m0/s1
InChIKeySAUGMVHPGMNKFD-LBPRGKRZSA-N
XLogP2.38
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate with MolForge

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Related Compounds

(2S)-2-[(2-azaniumylacetyl)amino]-4-methylpentanoate
CID 1548899
Leucyl-leucine-methyl ester
CID 7016877
tert-butyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate
CID 71454071
tert-butyl (2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate
CID 71461223
Alanylleucine zwitterion
CID 6992128
(2S)-2-[[(2S)-2-azaniumyl-3-methylbutanoyl]amino]-4-methylpentanoate
CID 6993117
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
[1-(1-Carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
CID 3108335
[(S)-1-(3-Ethylcarbamoyl-propylcarbamoyl)-3-methyl-butyl]-carbamic acid tert-butyl ester
CID 44330943
N-(tert-butoxycarbonyl)leucylleucine
CID 3243056
CID 7282368
CID 7282368
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate?
The IUPAC name of tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate (CID 75381012) is tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate.
What is the SMILES notation for tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate?
The canonical SMILES for tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate is CC(C)C[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate?
The InChIKey is SAUGMVHPGMNKFD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-11(2)9-12(14(21)23-16(3,4)5)19-13(20)10-18-15(22)24-17(6,7)8/h11-12H,9-10H2,1-8H3,(H,18,22)(H,19,20)/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate?
tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate has a molecular weight of 344.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pentanoate is sourced from PubChem (CID 75381012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).