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

C12H18N4O4 — CID 43171956

IUPAC5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H18N4O4/c1-6-8(7(2)16-15-6)5-11(18)14-9(12(19)20)3-4-10(13)17/h9H,3-5H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16)(H,19,20)
InChIKeyDLNWTDUAOIXWNO-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.60
Rot. Bonds7

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

5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid (PubChem CID 43171956) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid
PubChem CID43171956
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid
SMILESCc1n[nH]c(C)c1CC(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C12H18N4O4/c1-6-8(7(2)16-15-6)5-11(18)14-9(12(19)20)3-4-10(13)17/h9H,3-5H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16)(H,19,20)
InChIKeyDLNWTDUAOIXWNO-UHFFFAOYSA-N
XLogP-0.60
TPSA138.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid (CID 43171956) is 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid is Cc1n[nH]c(C)c1CC(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
The InChIKey is DLNWTDUAOIXWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-6-8(7(2)16-15-6)5-11(18)14-9(12(19)20)3-4-10(13)17/h9H,3-5H2,1-2H3,(H2,13,17)(H,14,18)(H,15,16)(H,19,20).
What are the key properties of 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid has a molecular weight of 282.30 g/mol, XLogP of -0.60, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 43171956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).