(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid

C10H14N4O4 — CID 107829870

IUPAC(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1[nH]ncc1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-5-6(4-12-14-5)9(16)13-7(10(17)18)2-3-8(11)15/h4,7H,2-3H2,1H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyIXBXZRWKHJWLBP-SSDOTTSWSA-N
MW254.25 g/mol
LogP-0.83
Rot. Bonds6

About (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107829870) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107829870
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1[nH]ncc1C(=O)N[C@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C10H14N4O4/c1-5-6(4-12-14-5)9(16)13-7(10(17)18)2-3-8(11)15/h4,7H,2-3H2,1H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)/t7-/m1/s1
InChIKeyIXBXZRWKHJWLBP-SSDOTTSWSA-N
XLogP-0.83
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-4-phenylbutanoic acid
CID 104983134
(2S)-5-amino-2-(1H-indazole-7-carbonylamino)-5-oxopentanoic acid
CID 167788429
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
5-methyl-N-pentan-3-yl-1H-pyrazole-4-carboxamide
CID 63996997
N-(1-bromopropan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 114310722
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
(2R)-5-amino-2-[(2-fluoro-5-methylbenzoyl)amino]-5-oxopentanoic acid
CID 107830031
N-(1-amino-3-methylbutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65191454
(2R)-5-amino-2-[(2,3-dihydroxybenzoyl)amino]-5-oxopentanoic acid
CID 107829776

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid (CID 107829870) is (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid is Cc1[nH]ncc1C(=O)N[C@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is IXBXZRWKHJWLBP-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5-6(4-12-14-5)9(16)13-7(10(17)18)2-3-8(11)15/h4,7H,2-3H2,1H3,(H2,11,15)(H,12,14)(H,13,16)(H,17,18)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 254.25 g/mol, XLogP of -0.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107829870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).