(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid

C11H16N4O4 — CID 28779169

IUPAC(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1c(C(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C
InChIInChI=1S/C11H16N4O4/c1-6-7(5-13-15(6)2)10(17)14-8(11(18)19)3-4-9(12)16/h5,8H,3-4H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyYUIZHOWAQRLHHJ-MRVPVSSYSA-N
MW268.27 g/mol
LogP-0.82
Rot. Bonds6

About (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid

(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 28779169) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID28779169
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCc1c(C(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C
InChIInChI=1S/C11H16N4O4/c1-6-7(5-13-15(6)2)10(17)14-8(11(18)19)3-4-9(12)16/h5,8H,3-4H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)/t8-/m1/s1
InChIKeyYUIZHOWAQRLHHJ-MRVPVSSYSA-N
XLogP-0.82
TPSA127.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 28777199
(E)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]hex-4-enoic acid
CID 120693151
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2R)-5-amino-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107829989
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
(2R)-5-amino-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107830037
ethyl (2R)-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-3-sulfanylpropanoate
CID 19473969
N-(4-amino-4-sulfanylidenebutan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 62092793
(2S)-5-amino-2-[(3-methylimidazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 103510485
N-(1-hydroxypropan-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 43419111
N-(3-amino-3-hydroxyimino-2-methylpropyl)-1,5-dimethylpyrazole-4-carboxamide
CID 76952766

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid (CID 28779169) is (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid is Cc1c(C(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C.
What is the InChIKey of (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is YUIZHOWAQRLHHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-6-7(5-13-15(6)2)10(17)14-8(11(18)19)3-4-9(12)16/h5,8H,3-4H2,1-2H3,(H2,12,16)(H,14,17)(H,18,19)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 28779169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).