2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid

C13H18N2O3 — CID 55036307

IUPAC2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
SMILESCCNC(=O)C(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(16)9(2)15-11(13(17)18)10-7-5-4-6-8-10/h4-9,11,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCJNOUZSTRJJBTF-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.93
Rot. Bonds6

About 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid

2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid (PubChem CID 55036307) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
PubChem CID55036307
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
SMILESCCNC(=O)C(C)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-14-12(16)9(2)15-11(13(17)18)10-7-5-4-6-8-10/h4-9,11,15H,3H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCJNOUZSTRJJBTF-UHFFFAOYSA-N
XLogP0.93
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78952919
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]-2-phenylacetic acid
CID 62109514
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
(2R)-2-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-N-benzylpropanamide
CID 95582096
N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-[(1-amino-1-oxobutan-2-yl)amino]-2-phenylacetic acid
CID 62901018
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-2-phenylacetic acid
CID 103256512
N-ethyl-2-methyl-3-phenylpropanamide
CID 58846627
N-ethyl-3-hydroxy-2-phenylpropanamide
CID 13215112
2-[1-(dimethylamino)propan-2-ylamino]-2-phenylacetic acid
CID 103260843

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid (CID 55036307) is 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid is CCNC(=O)C(C)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
The InChIKey is CJNOUZSTRJJBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-14-12(16)9(2)15-11(13(17)18)10-7-5-4-6-8-10/h4-9,11,15H,3H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid?
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid has a molecular weight of 250.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid is sourced from PubChem (CID 55036307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).