(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid

C11H14N2O4 — CID 61161925

IUPAC(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
SMILESO=C(CNc1ccccc1)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)6-12-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyXUBJROAQYMJFBJ-VIFPVBQESA-N
MW238.24 g/mol
LogP-0.34
Rot. Bonds6

About (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid

(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid (PubChem CID 61161925) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
PubChem CID61161925
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid
SMILESO=C(CNc1ccccc1)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)6-12-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKeyXUBJROAQYMJFBJ-VIFPVBQESA-N
XLogP-0.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-anilinoacetyl)amino]hexanoic acid
CID 70096044
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
(2R)-2-anilino-3-hydroxypropanoic acid
CID 68662369
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020
(2S,3R)-2-[(2-anilinoacetyl)amino]-3-hydroxybutanoic acid
CID 104965238
2-anilino-N-(1-phenylethyl)acetamide
CID 54810260
(2R)-2-[[2-(tert-butylamino)acetyl]amino]-3-hydroxypropanoic acid
CID 80751495
2-[(2-anilinoacetyl)amino]propanamide
CID 22166450
(2R)-2-[(2-anilinoacetyl)amino]propanamide
CID 173385485
(2S)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoic acid
CID 61153204
(2S)-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]-3-hydroxypropanoic acid
CID 61152911
2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid (CID 61161925) is (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid is O=C(CNc1ccccc1)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid?
The InChIKey is XUBJROAQYMJFBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c14-7-9(11(16)17)13-10(15)6-12-8-4-2-1-3-5-8/h1-5,9,12,14H,6-7H2,(H,13,15)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid?
(2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-anilinoacetyl)amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 61161925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).