(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid

C12H19N3O3 — CID 28788895

IUPAC(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCn1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-9(2)8-10(12(17)18)14-11(16)4-7-15-6-3-5-13-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyMXDNKDJECTXSBE-SNVBAGLBSA-N
MW253.30 g/mol
LogP0.89
Rot. Bonds7

About (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid

(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid (PubChem CID 28788895) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
PubChem CID28788895
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)CCn1cccn1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-9(2)8-10(12(17)18)14-11(16)4-7-15-6-3-5-13-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1
InChIKeyMXDNKDJECTXSBE-SNVBAGLBSA-N
XLogP0.89
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43211036
4-methylsulfonyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 43102610
2-methyl-6-(3-pyrazol-1-ylpropanoylamino)heptanoic acid
CID 65285915
(2S)-3-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid
CID 61172899
(3S)-5-methyl-3-[(3-pyrazol-1-ylpropanoylamino)methyl]hexanoic acid
CID 65493688
(2R)-3,3-dimethyl-2-(3-pyrazol-1-ylpropanoylamino)butanoic acid
CID 113353064
5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
N-but-3-yn-2-yl-3-pyrazol-1-ylpropanamide
CID 114390009
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
methyl 3-methyl-2-(3-pyrazol-1-ylpropanoylamino)butanoate
CID 43623190
2-[3-(azepan-1-yl)propanoylamino]-4-methylpentanoic acid
CID 52983772
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid (CID 28788895) is (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)CCn1cccn1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid?
The InChIKey is MXDNKDJECTXSBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)8-10(12(17)18)14-11(16)4-7-15-6-3-5-13-15/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,14,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid?
(2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3-pyrazol-1-ylpropanoylamino)pentanoic acid is sourced from PubChem (CID 28788895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).