2-(3-aminopropanoylamino)-2-phenylacetic acid

C11H14N2O3 — CID 61159354

IUPAC2-(3-aminopropanoylamino)-2-phenylacetic acid
SMILESNCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c12-7-6-9(14)13-10(11(15)16)8-4-2-1-3-5-8/h1-5,10H,6-7,12H2,(H,13,14)(H,15,16)
InChIKeyMRIWRDBHNCHXIJ-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.28
Rot. Bonds5

About 2-(3-aminopropanoylamino)-2-phenylacetic acid

2-(3-aminopropanoylamino)-2-phenylacetic acid (PubChem CID 61159354) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-2-phenylacetic acid
PubChem CID61159354
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3-aminopropanoylamino)-2-phenylacetic acid
SMILESNCCC(=O)NC(C(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c12-7-6-9(14)13-10(11(15)16)8-4-2-1-3-5-8/h1-5,10H,6-7,12H2,(H,13,14)(H,15,16)
InChIKeyMRIWRDBHNCHXIJ-UHFFFAOYSA-N
XLogP0.28
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-amino-4,4-dimethylhexanoyl)amino]-2-phenylacetic acid
CID 65292247
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 108808775
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(3-methylsulfanylpropanoylamino)-2-phenylacetic acid
CID 43183450
(2R)-2-[[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]-2-phenylacetic acid
CID 119367976
(2S)-2-(3-methoxypropanoylamino)-2-phenylacetic acid
CID 93310108
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
(2R)-2-[(4-ethoxy-4-oxobutanoyl)amino]-2-phenylacetic acid
CID 61143217
2-[4-(methylamino)butanoylamino]-2-phenylacetic acid
CID 61157870
(2S)-2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-2-phenylacetic acid
CID 108808855

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-2-phenylacetic acid?
The IUPAC name of 2-(3-aminopropanoylamino)-2-phenylacetic acid (CID 61159354) is 2-(3-aminopropanoylamino)-2-phenylacetic acid.
What is the SMILES notation for 2-(3-aminopropanoylamino)-2-phenylacetic acid?
The canonical SMILES for 2-(3-aminopropanoylamino)-2-phenylacetic acid is NCCC(=O)NC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(3-aminopropanoylamino)-2-phenylacetic acid?
The InChIKey is MRIWRDBHNCHXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-7-6-9(14)13-10(11(15)16)8-4-2-1-3-5-8/h1-5,10H,6-7,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-(3-aminopropanoylamino)-2-phenylacetic acid?
2-(3-aminopropanoylamino)-2-phenylacetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-2-phenylacetic acid is sourced from PubChem (CID 61159354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).