2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid

C11H14N2O3 — CID 78973201

IUPAC2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
SMILESC[C@@H](N)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyHLHIDVWWQQCDPB-MRVPVSSYSA-N
MW222.24 g/mol
LogP0.45
Rot. Bonds4

About 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid

2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid (PubChem CID 78973201) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
PubChem CID78973201
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
SMILESC[C@@H](N)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyHLHIDVWWQQCDPB-MRVPVSSYSA-N
XLogP0.45
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-(N-[(2R)-2-aminopropanoyl]-3-chloroanilino)acetic acid
CID 54996152
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
(2R)-2-amino-N-(2-oxoethyl)-N-phenylpropanamide
CID 54216940
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-[[(2S)-2-aminopropanoyl]-(2,3-dihydro-1H-inden-5-yl)amino]acetic acid
CID 15615006
2-amino-N-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 68993512
2-(N-(5-amino-4-methylpentanoyl)anilino)acetic acid
CID 82011215
2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
CID 22821679
2-[N-[2-(1,2,4-triazol-1-yl)propanoyl]anilino]acetic acid
CID 60831998

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid?
The IUPAC name of 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid (CID 78973201) is 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid is C[C@@H](N)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid?
The InChIKey is HLHIDVWWQQCDPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(12)11(16)13(7-10(14)15)9-5-3-2-4-6-9/h2-6,8H,7,12H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid?
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid is sourced from PubChem (CID 78973201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).