(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

C12H20N4O3 — CID 82874077

IUPAC(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)14-12(19)13-7-9-4-5-16(3)15-9/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,14,19)/t10-/m1/s1
InChIKeyXRPQGLGWZOYUQO-SNVBAGLBSA-N
MW268.32 g/mol
LogP0.72
Rot. Bonds6

About (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid

(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (PubChem CID 82874077) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
PubChem CID82874077
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)O
InChIInChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)14-12(19)13-7-9-4-5-16(3)15-9/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,14,19)/t10-/m1/s1
InChIKeyXRPQGLGWZOYUQO-SNVBAGLBSA-N
XLogP0.72
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid
CID 82867015
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanedioic acid
CID 82874207
4-methoxy-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 82873698
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylpentanoic acid
CID 115991283
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]-3-oxopropanoic acid
CID 114898886
(2R)-2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]butanedioic acid
CID 106106046
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 82873758
(2S)-2-hydroxy-4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114007684
2-[2-(1-methylpyrazol-3-yl)ethylcarbamoylamino]pentanedioic acid
CID 106105888
2-chloro-N-[(1-methylpyrazol-3-yl)methylcarbamoyl]propanamide
CID 82873706
(2R)-2-[(4-cyanophenyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78987435
2-(furan-3-ylmethylcarbamoylamino)-4-methylpentanoic acid
CID 113363536

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid (CID 82874077) is (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is CC(C)C[C@@H](NC(=O)NCc1ccn(C)n1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
The InChIKey is XRPQGLGWZOYUQO-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-8(2)6-10(11(17)18)14-12(19)13-7-9-4-5-16(3)15-9/h4-5,8,10H,6-7H2,1-3H3,(H,17,18)(H2,13,14,19)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid?
(2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid has a molecular weight of 268.32 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 82874077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).