2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid

C14H20N2O3 — CID 62109514

IUPAC2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
SMILESCC(C)NC(=O)C(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-13(17)10(3)16-12(14(18)19)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)(H,18,19)
InChIKeyFWFQONAPLDPMMV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.32
Rot. Bonds6

About 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid

2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid (PubChem CID 62109514) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
PubChem CID62109514
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
SMILESCC(C)NC(=O)C(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20N2O3/c1-9(2)15-13(17)10(3)16-12(14(18)19)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)(H,18,19)
InChIKeyFWFQONAPLDPMMV-UHFFFAOYSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 55036307
2-[(2-methyl-1-phenylpropyl)amino]-N-propan-2-ylpropanamide
CID 112683279
(2S)-2-[2-(methanesulfonamido)propanoylamino]-2-phenylacetic acid
CID 119372607
(2S)-2-(2-aminopropanoylamino)-2-phenylacetic acid
CID 103871003
4-[[carboxy(phenyl)methyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498245
2-methyl-3-phenyl-N-propan-2-ylbutanamide
CID 134975619
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
2-amino-2-phenyl-N-propan-2-ylacetamide;hydrochloride
CID 22262716
2-[[(2S)-2-(deuterioamino)propanoyl]amino]-2-phenylacetic acid
CID 142690110
N-methyl-2-phenyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 47075853

Frequently Asked Questions

What is the IUPAC name of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid (CID 62109514) is 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid is CC(C)NC(=O)C(C)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid?
The InChIKey is FWFQONAPLDPMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-9(2)15-13(17)10(3)16-12(14(18)19)11-7-5-4-6-8-11/h4-10,12,16H,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid?
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid is sourced from PubChem (CID 62109514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).