(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid

C11H17N5O4 — CID 61203190

IUPAC(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-5-9(6(2)16-15-5)14-11(20)13-7(10(18)19)3-4-8(12)17/h7H,3-4H2,1-2H3,(H2,12,17)(H,15,16)(H,18,19)(H2,13,14,20)/t7-/m0/s1
InChIKeyMBFPMQXQKFKCNV-ZETCQYMHSA-N
MW283.29 g/mol
LogP-0.13
Rot. Bonds6

About (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 61203190) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID61203190
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCc1n[nH]c(C)c1NC(=O)N[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C11H17N5O4/c1-5-9(6(2)16-15-5)14-11(20)13-7(10(18)19)3-4-8(12)17/h7H,3-4H2,1-2H3,(H2,12,17)(H,15,16)(H,18,19)(H2,13,14,20)/t7-/m0/s1
InChIKeyMBFPMQXQKFKCNV-ZETCQYMHSA-N
XLogP-0.13
TPSA150.20 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005421
(2R)-5-amino-2-[(2,6-dimethyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107831001
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 107830095
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2R)-5-amino-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831142
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2R)-5-amino-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 107829870
(2S)-5-amino-2-[(3,4-dimethylphenyl)carbamoylamino]-5-oxopentanoic acid
CID 61191311
(2R)-5-amino-2-[(4-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107830876
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid (CID 61203190) is (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid is Cc1n[nH]c(C)c1NC(=O)N[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is MBFPMQXQKFKCNV-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-5-9(6(2)16-15-5)14-11(20)13-7(10(18)19)3-4-8(12)17/h7H,3-4H2,1-2H3,(H2,12,17)(H,15,16)(H,18,19)(H2,13,14,20)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 283.29 g/mol, XLogP of -0.13, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 61203190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).