(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid

C10H14N4O4 — CID 107830095

IUPAC(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1
InChIInChI=1S/C10H14N4O4/c1-5-4-7(14-13-5)9(16)12-6(10(17)18)2-3-8(11)15/h4,6H,2-3H2,1H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1
InChIKeyLRAZVVGHFRRGJW-ZCFIWIBFSA-N
MW254.25 g/mol
LogP-0.83
Rot. Bonds6

About (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107830095) 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-3-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107830095
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1
InChIInChI=1S/C10H14N4O4/c1-5-4-7(14-13-5)9(16)12-6(10(17)18)2-3-8(11)15/h4,6H,2-3H2,1H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1
InChIKeyLRAZVVGHFRRGJW-ZCFIWIBFSA-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

5-amino-5-oxo-2-(2H-triazole-4-carbonylamino)pentanoic acid
CID 63283012
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2R)-3-methyl-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]butanoic acid
CID 79011182
N-[1-[[1-[[(E)-7-amino-7-oxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 23594750
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2R)-5-amino-2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-5-oxopentanoic acid
CID 107830223
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CID 107830203
(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 61203190
(2S)-5-amino-2-[(5-bromopyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 62959310
5-amino-2-[(3-methylbenzoyl)amino]-5-oxopentanoic acid
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(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid (CID 107830095) is (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid is Cc1cc(C(=O)N[C@H](CCC(N)=O)C(=O)O)n[nH]1.
What is the InChIKey of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is LRAZVVGHFRRGJW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-5-4-7(14-13-5)9(16)12-6(10(17)18)2-3-8(11)15/h4,6H,2-3H2,1H3,(H2,11,15)(H,12,16)(H,13,14)(H,17,18)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-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-3-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107830095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).