2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid

C13H16N2O3 — CID 61157868

IUPAC2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CNC1CC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(8-14-10-6-7-10)15-12(13(17)18)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyKORDBWAUQOOKJE-UHFFFAOYSA-N
MW248.28 g/mol
LogP0.68
Rot. Bonds6

About 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid

2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid (PubChem CID 61157868) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
PubChem CID61157868
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CNC1CC1)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C13H16N2O3/c16-11(8-14-10-6-7-10)15-12(13(17)18)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,15,16)(H,17,18)
InChIKeyKORDBWAUQOOKJE-UHFFFAOYSA-N
XLogP0.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzhydryl-2-(cyclopropylamino)acetamide
CID 60647106
2-[(2-benzamidoacetyl)amino]-2-phenylacetic acid
CID 132917045
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
2-(cyclopentylamino)-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184083
2-[[2-(cyclopentylamino)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284804
(2S)-2-[[2-(azetidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 104898572
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
2-[[2-(tert-butylamino)acetyl]amino]-2-phenylacetic acid
CID 79256949

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid (CID 61157868) is 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid is O=C(CNC1CC1)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid?
The InChIKey is KORDBWAUQOOKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-11(8-14-10-6-7-10)15-12(13(17)18)9-4-2-1-3-5-9/h1-5,10,12,14H,6-8H2,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid?
2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid has a molecular weight of 248.28 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 61157868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).