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

C11H15N3O4 — CID 62992130

IUPAC(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
SMILESCOc1ccc(CNC(=O)N[C@H](C)C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(10(15)16)14-11(17)13-6-8-3-4-9(18-2)12-5-8/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1
InChIKeyJFDFJLPUVXPJNU-SSDOTTSWSA-N
MW253.26 g/mol
LogP0.36
Rot. Bonds5

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

(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid (PubChem CID 62992130) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
PubChem CID62992130
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
SMILESCOc1ccc(CNC(=O)N[C@H](C)C(=O)O)cn1
InChIInChI=1S/C11H15N3O4/c1-7(10(15)16)14-11(17)13-6-8-3-4-9(18-2)12-5-8/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1
InChIKeyJFDFJLPUVXPJNU-SSDOTTSWSA-N
XLogP0.36
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.36
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
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(6-methoxy-3-pyridinyl)methyl]-3-[1-(2,2,2-trifluoroethoxy)propan-2-yl]urea
CID 51096021
1-[(6-methoxy-3-pyridinyl)methyl]-3-(1-pyridin-4-ylpropyl)urea
CID 71990716
5-[[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095512
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
(2S)-2-[(4-methylphenyl)methylcarbamoylamino]propanoic acid
CID 5423731
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
N-[(6-methoxy-3-pyridinyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51306230
3-amino-2-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]propanamide
CID 106112443

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid (CID 62992130) is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid is COc1ccc(CNC(=O)N[C@H](C)C(=O)O)cn1.
What is the InChIKey of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid?
The InChIKey is JFDFJLPUVXPJNU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7(10(15)16)14-11(17)13-6-8-3-4-9(18-2)12-5-8/h3-5,7H,6H2,1-2H3,(H,15,16)(H2,13,14,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid?
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.36, 5 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]propanoic acid is sourced from PubChem (CID 62992130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).