2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid

C19H20N2O4 — CID 22821679

IUPAC2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
SMILESCC(=O)c1ccccc1N[C@@H](C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(20-17-11-7-6-10-16(17)14(2)22)19(25)21(12-18(23)24)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyUBKZWOKIVASPFW-ZDUSSCGKSA-N
MW340.38 g/mol
LogP2.81
Rot. Bonds7

About 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid

2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid (PubChem CID 22821679) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
PubChem CID22821679
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid
SMILESCC(=O)c1ccccc1N[C@@H](C)C(=O)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C19H20N2O4/c1-13(20-17-11-7-6-10-16(17)14(2)22)19(25)21(12-18(23)24)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3,(H,23,24)/t13-/m0/s1
InChIKeyUBKZWOKIVASPFW-ZDUSSCGKSA-N
XLogP2.81
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638791
2-[N-(2-methylpropanoyl)anilino]acetic acid
CID 28764984
2-(N-[(2R)-2-aminopropanoyl]anilino)acetic acid
CID 78973201
ethyl 2-(2-acetylanilino)propanoate
CID 67790607
2-[4-methyl-N-[2-(methylamino)propanoyl]anilino]acetic acid
CID 62638790
2-(N-[2-methyl-3-(methylamino)propanoyl]anilino)acetic acid
CID 79202529
2-(N-[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]anilino)acetic acid
CID 22894878
3-[N-(2-acetamidopropanoyl)anilino]propanoic acid
CID 60830268
2-[N-[2-(aminomethyl)butanoyl]anilino]acetic acid
CID 65229507
2-[N-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]anilino]acetic acid
CID 61499192
2-(2-acetylanilino)acetic acid;methanamine
CID 69423543
2-(N-[methyl(pentan-3-yl)carbamoyl]anilino)acetic acid
CID 61202713

Frequently Asked Questions

What is the IUPAC name of 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid?
The IUPAC name of 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid (CID 22821679) is 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid is CC(=O)c1ccccc1N[C@@H](C)C(=O)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid?
The InChIKey is UBKZWOKIVASPFW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13(20-17-11-7-6-10-16(17)14(2)22)19(25)21(12-18(23)24)15-8-4-3-5-9-15/h3-11,13,20H,12H2,1-2H3,(H,23,24)/t13-/m0/s1.
What are the key properties of 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid?
2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid has a molecular weight of 340.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[(2S)-2-(2-acetylanilino)propanoyl]anilino)acetic acid is sourced from PubChem (CID 22821679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).