2-oxo-2-(propan-2-ylamino)acetic acid

C5H9NO3 — CID 7183008

IUPAC2-oxo-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKeyKBMFHCMLHQGQEB-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.40
Rot. Bonds1

About 2-oxo-2-(propan-2-ylamino)acetic acid

2-oxo-2-(propan-2-ylamino)acetic acid (PubChem CID 7183008) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-oxo-2-(propan-2-ylamino)acetic acid.

Molecular Properties

Compound Name2-oxo-2-(propan-2-ylamino)acetic acid
PubChem CID7183008
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-oxo-2-(propan-2-ylamino)acetic acid
SMILESCC(C)NC(=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9)
InChIKeyKBMFHCMLHQGQEB-UHFFFAOYSA-N
XLogP-0.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclobutylethylamino)-2-oxoacetic acid
CID 104768741
2-(5-methylhexan-2-ylamino)-2-oxoacetic acid
CID 63925332
2-oxo-2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetic acid
CID 122513396
2-(3-ethylpentan-2-ylamino)-2-oxoacetic acid
CID 63836816
2-(1-cyclopropylethylamino)-2-oxoacetic acid
CID 43533725
2-[[amino(methylamino)methyl]amino]-2-oxoacetic acid
CID 55289959
(3S)-3-amino-2-oxo-N-propan-2-ylbutanamide
CID 142494367
cyclopentane;propan-2-ylcarbamic acid
CID 169143516
2-methoxy-N-propan-2-ylprop-2-enamide
CID 13399116
2-[[(2S)-1-oxalooxy-1-oxopropan-2-yl]amino]-2-oxoacetic acid
CID 175112819
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 61479125

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(propan-2-ylamino)acetic acid?
The IUPAC name of 2-oxo-2-(propan-2-ylamino)acetic acid (CID 7183008) is 2-oxo-2-(propan-2-ylamino)acetic acid.
What is the SMILES notation for 2-oxo-2-(propan-2-ylamino)acetic acid?
The canonical SMILES for 2-oxo-2-(propan-2-ylamino)acetic acid is CC(C)NC(=O)C(=O)O.
What is the InChIKey of 2-oxo-2-(propan-2-ylamino)acetic acid?
The InChIKey is KBMFHCMLHQGQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3(2)6-4(7)5(8)9/h3H,1-2H3,(H,6,7)(H,8,9).
What are the key properties of 2-oxo-2-(propan-2-ylamino)acetic acid?
2-oxo-2-(propan-2-ylamino)acetic acid has a molecular weight of 131.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(propan-2-ylamino)acetic acid is sourced from PubChem (CID 7183008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).