propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate

C15H25N3O3 — CID 122151920

IUPACpropan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
SMILESCC(C)OC(=O)[C@@H](NC(=O)c1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)13(15(20)21-11(5)6)16-14(19)12-7-8-18(17-12)10(3)4/h7-11,13H,1-6H3,(H,16,19)/t13-/m0/s1
InChIKeyNDJQSFDVXQVMDE-ZDUSSCGKSA-N
MW295.38 g/mol
LogP2.17
Rot. Bonds6

About propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate

propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate (PubChem CID 122151920) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
PubChem CID122151920
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namepropan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
SMILESCC(C)OC(=O)[C@@H](NC(=O)c1ccn(C(C)C)n1)C(C)C
InChIInChI=1S/C15H25N3O3/c1-9(2)13(15(20)21-11(5)6)16-14(19)12-7-8-18(17-12)10(3)4/h7-11,13H,1-6H3,(H,16,19)/t13-/m0/s1
InChIKeyNDJQSFDVXQVMDE-ZDUSSCGKSA-N
XLogP2.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143866
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
N-[(2S,3R)-3-hydroxy-1-oxo-1-(prop-2-ynylamino)butan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119074079
N-[2-(methylamino)propyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120831813
3-(4-fluorophenyl)-3-[(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoic acid
CID 119169568
methyl (2R)-2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoate
CID 107427738
N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 119062587
2-[3-(methylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623442
ethyl (2S)-2-[methyl-(1-propan-2-ylpyrazole-3-carbonyl)amino]propanoate
CID 96539757
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
2-bromo-1-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 146407940
1-(1-propan-2-ylpyrazol-3-yl)prop-2-yn-1-one
CID 145062859

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The IUPAC name of propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate (CID 122151920) is propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate.
What is the SMILES notation for propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The canonical SMILES for propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate is CC(C)OC(=O)[C@@H](NC(=O)c1ccn(C(C)C)n1)C(C)C.
What is the InChIKey of propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
The InChIKey is NDJQSFDVXQVMDE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-9(2)13(15(20)21-11(5)6)16-14(19)12-7-8-18(17-12)10(3)4/h7-11,13H,1-6H3,(H,16,19)/t13-/m0/s1.
What are the key properties of propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate?
propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate is sourced from PubChem (CID 122151920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).