(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid

C13H19N3O4 — CID 107566922

IUPAC(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-4-10(12(17)18)16-13(19)15-8-9-5-6-11(20-2)14-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1
InChIKeyMKIFCTILWOVAFB-SNVBAGLBSA-N
MW281.31 g/mol
LogP1.14
Rot. Bonds7

About (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid

(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid (PubChem CID 107566922) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
PubChem CID107566922
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NCc1ccc(OC)nc1)C(=O)O
InChIInChI=1S/C13H19N3O4/c1-3-4-10(12(17)18)16-13(19)15-8-9-5-6-11(20-2)14-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1
InChIKeyMKIFCTILWOVAFB-SNVBAGLBSA-N
XLogP1.14
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 62992295
(2S)-2-[(6-methyl-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 94913044
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(6-methoxy-3-pyridinyl)pentanamide
CID 24605807
1-[(6-methoxy-3-pyridinyl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 71990716
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
1-(6-methoxy-3-pyridinyl)-3-methylhexan-2-one
CID 107896356
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
2-[(5-bromo-2-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 113454090
1-[(6-methoxy-3-pyridinyl)methyl]-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 51096021

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid (CID 107566922) is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NCc1ccc(OC)nc1)C(=O)O.
What is the InChIKey of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is MKIFCTILWOVAFB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-3-4-10(12(17)18)16-13(19)15-8-9-5-6-11(20-2)14-7-9/h5-7,10H,3-4,8H2,1-2H3,(H,17,18)(H2,15,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid?
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).