methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate

C9H18N2O3 — CID 79797109

IUPACmethyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
SMILESCCC(C)(N)C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-5-9(3,10)8(13)11-6(2)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-,9?/m0/s1
InChIKeyGINVLVQJELVHKI-AADKRJSRSA-N
MW202.25 g/mol
LogP-0.21
Rot. Bonds4

About methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate

methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate (PubChem CID 79797109) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
PubChem CID79797109
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate
SMILESCCC(C)(N)C(=O)N[C@@H](C)C(=O)OC
InChIInChI=1S/C9H18N2O3/c1-5-9(3,10)8(13)11-6(2)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-,9?/m0/s1
InChIKeyGINVLVQJELVHKI-AADKRJSRSA-N
XLogP-0.21
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(2-amino-2-methylbutanoyl)amino]propanoate
CID 79805903
methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
methyl (2S)-2-(2,2-dimethylpropanoylamino)propanoate
CID 7024878
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923
methyl 2-[[3-[(1-methoxy-1-oxopropan-2-yl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]butanoate
CID 123166655
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
2-[(2-amino-2-methylbutanoyl)amino]-3-hydroxybutanoic acid
CID 79805776
2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbutanamide
CID 79805617
(2R)-2-[(2-amino-2-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103927163
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983
2-amino-N-carbamoyl-2-methylbutanamide
CID 79812267
methyl 2-[(2-amino-2-methylpentanoyl)amino]-3-methylpentanoate
CID 54928348

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate (CID 79797109) is methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate is CCC(C)(N)C(=O)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate?
The InChIKey is GINVLVQJELVHKI-AADKRJSRSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5-9(3,10)8(13)11-6(2)7(12)14-4/h6H,5,10H2,1-4H3,(H,11,13)/t6-,9?/m0/s1.
What are the key properties of methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate?
methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-amino-2-methylbutanoyl)amino]propanoate is sourced from PubChem (CID 79797109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).