(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid

C7H14N2O3 — CID 54118919

IUPAC(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(5(10)11)9-6(12)7(2,3)8/h4H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-/m0/s1
InChIKeyNMGOPDHNZINAJY-BYPYZUCNSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds3

About (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid

(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid (PubChem CID 54118919) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
PubChem CID54118919
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid
SMILESC[C@H](NC(=O)C(C)(C)N)C(=O)O
InChIInChI=1S/C7H14N2O3/c1-4(5(10)11)9-6(12)7(2,3)8/h4H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-/m0/s1
InChIKeyNMGOPDHNZINAJY-BYPYZUCNSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61265011
(2S)-2-[(2-methyl-2-sulfanylpropanoyl)amino]propanoic acid
CID 139669849
2-[(2-amino-2-methylpentanoyl)amino]propanoic acid
CID 61157718
ethyl 2-[(2-amino-2-methylpropanoyl)amino]propanoate
CID 61498902
2-amino-2-methyl-N-(3-methylbutan-2-yl)propanamide
CID 61264796
(2S)-2-[(2-amino-2-phenylpropanoyl)amino]propanoic acid
CID 78991003
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 78975690
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpropanamide
CID 79249834
2-amino-2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 61267195
2-[(2-amino-2-methylpropanoyl)amino]-2-cyclopropylacetic acid
CID 62696214
2-[[7-(1-carboxyethylamino)-2,2,3,3,4,4,5,5,6,6-decafluoro-7-oxoheptanoyl]amino]propanoic acid
CID 3926618
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid (CID 54118919) is (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid is C[C@H](NC(=O)C(C)(C)N)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid?
The InChIKey is NMGOPDHNZINAJY-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(5(10)11)9-6(12)7(2,3)8/h4H,8H2,1-3H3,(H,9,12)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid?
(2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-2-methylpropanoyl)amino]propanoic acid is sourced from PubChem (CID 54118919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).