(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid

C16H25N3O3 — CID 97338809

IUPAC(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)O)C1CC1
InChIInChI=1S/C16H25N3O3/c1-9(16(21)22)8-19(13-6-7-13)15(20)10(2)14-11(3)17-18(5)12(14)4/h9-10,13H,6-8H2,1-5H3,(H,21,22)/t9-,10-/m1/s1
InChIKeyHIIRNFZLSNIQAO-NXEZZACHSA-N
MW307.39 g/mol
LogP1.85
Rot. Bonds6

About (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid

(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid (PubChem CID 97338809) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
PubChem CID97338809
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
SMILESCc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)O)C1CC1
InChIInChI=1S/C16H25N3O3/c1-9(16(21)22)8-19(13-6-7-13)15(20)10(2)14-11(3)17-18(5)12(14)4/h9-10,13H,6-8H2,1-5H3,(H,21,22)/t9-,10-/m1/s1
InChIKeyHIIRNFZLSNIQAO-NXEZZACHSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic 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

3-(3,4,5-Trimethyl-pyrazol-1-yl)-butyric acid
CID 3160220
2-Methyl-3-(3,4,5-trimethyl-pyrazol-1-yl)-propionic acid
CID 3162903
N,N-diethyl-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45862482
3-[Cyclopropyl-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]propanoic acid
CID 75428957
1-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 75467686
N-cyclopentyl-N-cyclopropyl-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 75479981
2-[2,2,2-Trifluoroethyl-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]acetic acid
CID 79265075
3-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]-methylamino]propanoic acid
CID 86779671
3-[[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]-2,2-dimethylpropanoic acid
CID 86779689
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 86783533
(3S)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 97317535
(3R)-1-[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 97317536

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid (CID 97338809) is (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid is Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(C[C@@H](C)C(=O)O)C1CC1.
What is the InChIKey of (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid?
The InChIKey is HIIRNFZLSNIQAO-NXEZZACHSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-9(16(21)22)8-19(13-6-7-13)15(20)10(2)14-11(3)17-18(5)12(14)4/h9-10,13H,6-8H2,1-5H3,(H,21,22)/t9-,10-/m1/s1.
What are the key properties of (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid?
(2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid has a molecular weight of 307.39 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[cyclopropyl-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)propanoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 97338809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).