(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid

C11H15N3O3 — CID 78967862

IUPAC(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-8(10(15)16)13-11(17)14(2)7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeySZYLSSBDXCPNMI-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.70
Rot. Bonds4

About (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid

(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 78967862) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID78967862
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-8(10(15)16)13-11(17)14(2)7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKeySZYLSSBDXCPNMI-QMMMGPOBSA-N
XLogP0.70
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
3-methyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65223176
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
3-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 154848001
4-methyl-5-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]pentanoic acid
CID 82688959
(2R)-2-(3-pyridin-2-ylpropanoylamino)propanoic acid
CID 81454532
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
1-methyl-3-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-1-(pyridin-2-ylmethyl)urea
CID 47489615
3-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 86841638
3-(4-iodophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47393550
3-(2,6-diethylphenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47489186
2-ethyl-2-[[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 115430878

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid (CID 78967862) is (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid is C[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)O.
What is the InChIKey of (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is SZYLSSBDXCPNMI-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(10(15)16)13-11(17)14(2)7-9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3,(H,13,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid?
(2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78967862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).