(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid

C10H13N3O4 — CID 107265712

IUPAC(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)N[C@@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyZBORAJBSIQPAMZ-QMMMGPOBSA-N
MW239.23 g/mol
LogP-0.04
Rot. Bonds4

About (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid

(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 107265712) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID107265712
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)N[C@@H](CO)C(=O)O)c1
InChIInChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1
InChIKeyZBORAJBSIQPAMZ-QMMMGPOBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 107265712) is (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is Cc1cncc(NC(=O)N[C@@H](CO)C(=O)O)c1.
What is the InChIKey of (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is ZBORAJBSIQPAMZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-2-7(4-11-3-6)12-10(17)13-8(5-14)9(15)16/h2-4,8,14H,5H2,1H3,(H,15,16)(H2,12,13,17)/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
(2S)-3-hydroxy-2-[(5-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 (2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107265712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).