(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid

C12H16N2O5 — CID 107836361

IUPAC(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-10-6-7(13)2-3-8(10)11(16)14-5-4-9(15)12(17)18/h2-3,6,9,15H,4-5,13H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyXYTGLOFULHKRDN-VIFPVBQESA-N
MW268.27 g/mol
LogP-0.16
Rot. Bonds6

About (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid

(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836361) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836361
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
SMILESCOc1cc(N)ccc1C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H16N2O5/c1-19-10-6-7(13)2-3-8(10)11(16)14-5-4-9(15)12(17)18/h2-3,6,9,15H,4-5,13H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1
InChIKeyXYTGLOFULHKRDN-VIFPVBQESA-N
XLogP-0.16
TPSA121.88 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid
CID 107836071
4-[(4-amino-2-methoxybenzoyl)amino]-2-methylbutanoic acid
CID 107207914
4-[(4-amino-2-methoxybenzoyl)amino]butanoic acid
CID 107207734
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]propanoic acid
CID 107207808
4-amino-N-hex-5-ynyl-2-methoxybenzamide
CID 106208174
4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
4-amino-N-(2-but-3-enoxyethyl)-2-methoxybenzamide
CID 106391867
(2R)-2-[(4-amino-2-methoxybenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 107208004

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid (CID 107836361) is (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid is COc1cc(N)ccc1C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is XYTGLOFULHKRDN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-10-6-7(13)2-3-8(10)11(16)14-5-4-9(15)12(17)18/h2-3,6,9,15H,4-5,13H2,1H3,(H,14,16)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid?
(2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-amino-2-methoxybenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).