(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid

C10H13N3O4 — CID 80755851

IUPAC(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1ncccc1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6-7(3-2-4-11-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyCFLZSQKMAHKKBJ-MRVPVSSYSA-N
MW239.23 g/mol
LogP-0.04
Rot. Bonds4

About (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 80755851) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID80755851
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1ncccc1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C10H13N3O4/c1-6-7(3-2-4-11-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1
InChIKeyCFLZSQKMAHKKBJ-MRVPVSSYSA-N
XLogP-0.04
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(2R)-4-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 114005731
3-methyl-2-[(2-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 79043662
(2S)-3-hydroxy-2-[(2-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 107642413
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
(2S)-2-[(2-bromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191334
(2R)-3-hydroxy-2-[(3-methylpyridine-2-carbonyl)amino]propanoic acid
CID 80750927
(2R)-3-hydroxy-2-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810953
(2S)-3-hydroxy-2-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61204121
3-hydroxy-2-[(2-methyl-3-nitrophenyl)carbamoylamino]propanoic acid
CID 107810995
(2R)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80756077
1-butyl-3-(2-methyl-3-pyridinyl)urea
CID 115667861
2-chloro-N-(2-methyl-3-pyridinyl)-2-phenylacetamide
CID 79041942

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 80755851) is (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid is Cc1ncccc1NC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is CFLZSQKMAHKKBJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-7(3-2-4-11-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.04, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 80755851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).