(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid

C12H19N5O4 — CID 106037774

IUPAC(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCc1c(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C
InChIInChI=1S/C12H19N5O4/c1-7-8(6-15-17(7)2)5-14-12(21)16-9(11(19)20)3-4-10(13)18/h6,9H,3-5H2,1-2H3,(H2,13,18)(H,19,20)(H2,14,16,21)/t9-/m1/s1
InChIKeyQDFGSTZPEBCMTI-SECBINFHSA-N
MW297.31 g/mol
LogP-0.75
Rot. Bonds7

About (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 106037774) has the molecular formula C12H19N5O4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
PubChem CID106037774
Molecular FormulaC12H19N5O4
Molecular Weight297.31 g/mol
Exact Mass297.14
IUPAC Name(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
SMILESCc1c(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C
InChIInChI=1S/C12H19N5O4/c1-7-8(6-15-17(7)2)5-14-12(21)16-9(11(19)20)3-4-10(13)18/h6,9H,3-5H2,1-2H3,(H2,13,18)(H,19,20)(H2,14,16,21)/t9-/m1/s1
InChIKeyQDFGSTZPEBCMTI-SECBINFHSA-N
XLogP-0.75
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 106037970
2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]pent-4-ynoic acid
CID 106037684
(2R)-5-amino-2-[(1,5-dimethylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28779169
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
2-acetamido-3-[(1,5-dimethylpyrazol-4-yl)methylamino]propanoic acid
CID 106035702
(2R)-5-amino-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 107831006
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpentanoic acid
CID 79579169
(2R)-5-amino-2-[(2-methyl-1,2,4-triazol-3-yl)carbamoylamino]-5-oxopentanoic acid
CID 107831031
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 98583925

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid (CID 106037774) is (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid is Cc1c(CNC(=O)N[C@H](CCC(N)=O)C(=O)O)cnn1C.
What is the InChIKey of (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is QDFGSTZPEBCMTI-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O4/c1-7-8(6-15-17(7)2)5-14-12(21)16-9(11(19)20)3-4-10(13)18/h6,9H,3-5H2,1-2H3,(H2,13,18)(H,19,20)(H2,14,16,21)/t9-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 297.31 g/mol, XLogP of -0.75, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106037774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).