(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

C11H17N3O3 — CID 136583372

IUPAC(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C(C)C)cc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-6(2)14-5-9(7(3)13-14)10(15)12-8(4)11(16)17/h5-6,8H,1-4H3,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyRZHTWLIADYYJEV-QMMMGPOBSA-N
MW239.27 g/mol
LogP0.98
Rot. Bonds4

About (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid

(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 136583372) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID136583372
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCc1nn(C(C)C)cc1C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-6(2)14-5-9(7(3)13-14)10(15)12-8(4)11(16)17/h5-6,8H,1-4H3,(H,12,15)(H,16,17)/t8-/m0/s1
InChIKeyRZHTWLIADYYJEV-QMMMGPOBSA-N
XLogP0.98
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]propanoic acid
CID 103791188
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
3-methyl-1-propan-2-yl-N-[(1S)-1-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]pyrazole-4-carboxamide
CID 167186116
3-[cyclopropyl-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 136551490
(2S)-2-[(3-chloro-2-methylbenzoyl)amino]propanoic acid
CID 107095878
N-[[(1S,4R)-2-bicyclo[2.2.1]heptanyl]sulfonyl]-3-methyl-1-propan-2-ylpyrazole-4-carboxamide
CID 146135219
1,3-dimethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-4-carboxamide
CID 91938266
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
(2R)-2-(pyrimidine-5-carbonylamino)propanoic acid
CID 102921462
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 127019911
(2R)-2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 54990991
2-[(2,5,6-trimethyl-3-oxopyridazine-4-carbonyl)amino]propanoic acid
CID 43355324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid (CID 136583372) is (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is Cc1nn(C(C)C)cc1C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is RZHTWLIADYYJEV-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(2)14-5-9(7(3)13-14)10(15)12-8(4)11(16)17/h5-6,8H,1-4H3,(H,12,15)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid?
(2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 136583372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).