(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid

C11H17N3O3 — CID 28790075

IUPAC(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-8(2)10(11(16)17)13-9(15)7-14-6-4-5-12-14/h4-6,8,10H,3,7H2,1-2H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1
InChIKeyBAZKHVNPXMKDDU-WPRPVWTQSA-N
MW239.27 g/mol
LogP0.50
Rot. Bonds6

About (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid

(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid (PubChem CID 28790075) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
PubChem CID28790075
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-8(2)10(11(16)17)13-9(15)7-14-6-4-5-12-14/h4-6,8,10H,3,7H2,1-2H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1
InChIKeyBAZKHVNPXMKDDU-WPRPVWTQSA-N
XLogP0.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
L-N-Boc-3-Pyrazol-1-yl-alanine
CID 10264334
4-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 43353247
3-Methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 43356415
(2S,3S)-3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61136679
(2S)-4-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61138033
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 61173440
(2R)-4-methyl-2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]pentanoic acid
CID 78975781
3,3,3-Trifluoro-2-methyl-2-[(2-pyrazol-1-ylacetyl)amino]propanoic acid
CID 79796231
3,3,3-Trifluoro-2-methyl-2-(2-pyrazol-1-ylpropanoylamino)propanoic acid
CID 79796411
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-2-(1H-pyrazol-1-yl)propanamide
CID 119065740
(2S)-4-methyl-2-[[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]acetyl]amino]pentanoic acid
CID 120695250

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The IUPAC name of (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid (CID 28790075) is (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid.
What is the SMILES notation for (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The canonical SMILES for (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid is CC[C@H](C)[C@H](NC(=O)Cn1cccn1)C(=O)O.
What is the InChIKey of (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
The InChIKey is BAZKHVNPXMKDDU-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-8(2)10(11(16)17)13-9(15)7-14-6-4-5-12-14/h4-6,8,10H,3,7H2,1-2H3,(H,13,15)(H,16,17)/t8-,10-/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid?
(2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-[(2-pyrazol-1-ylacetyl)amino]pentanoic acid is sourced from PubChem (CID 28790075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).