(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid

C14H21N3O4 — CID 62992295

IUPAC(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C14H21N3O4/c1-9(2)6-11(13(18)19)17-14(20)16-8-10-4-5-12(21-3)15-7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyRDQGKQZNPSGABL-LLVKDONJSA-N
MW295.34 g/mol
LogP1.39
Rot. Bonds7

About (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid

(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 62992295) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
PubChem CID62992295
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
SMILESCOc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)O)cn1
InChIInChI=1S/C14H21N3O4/c1-9(2)6-11(13(18)19)17-14(20)16-8-10-4-5-12(21-3)15-7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyRDQGKQZNPSGABL-LLVKDONJSA-N
XLogP1.39
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 107566922
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
2-[(4-fluorophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 3676816
(2R)-2-[(4-cyanophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78987435
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
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
2-(furan-3-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 113363536
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid (CID 62992295) is (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid is COc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)O)cn1.
What is the InChIKey of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is RDQGKQZNPSGABL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9(2)6-11(13(18)19)17-14(20)16-8-10-4-5-12(21-3)15-7-10/h4-5,7,9,11H,6,8H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid?
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.39, 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]-4-methylpentanoic acid is sourced from PubChem (CID 62992295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).