4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid

C11H17N5O4 — CID 80689101

IUPAC4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCn1cc(CCNC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H17N5O4/c1-16-6-7(5-14-16)2-3-13-11(20)15-8(10(18)19)4-9(12)17/h5-6,8H,2-4H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20)
InChIKeyXDPFYCFHGMKUKX-UHFFFAOYSA-N
MW283.29 g/mol
LogP-1.41
Rot. Bonds7

About 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid

4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 80689101) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
PubChem CID80689101
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESCn1cc(CCNC(=O)NC(CC(N)=O)C(=O)O)cn1
InChIInChI=1S/C11H17N5O4/c1-16-6-7(5-14-16)2-3-13-11(20)15-8(10(18)19)4-9(12)17/h5-6,8H,2-4H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20)
InChIKeyXDPFYCFHGMKUKX-UHFFFAOYSA-N
XLogP-1.41
TPSA139.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-amino-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63719403
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
3-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689431
2-methyl-4-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 80689654
(2S,3S)-3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80688858
3-methyl-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 80689102
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 111454562
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099
(2R)-4-amino-4-oxo-2-(2-pyrazol-1-ylethylcarbamoylamino)butanoic acid
CID 107826754
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid (CID 80689101) is 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid is Cn1cc(CCNC(=O)NC(CC(N)=O)C(=O)O)cn1.
What is the InChIKey of 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is XDPFYCFHGMKUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-16-6-7(5-14-16)2-3-13-11(20)15-8(10(18)19)4-9(12)17/h5-6,8H,2-4H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20).
What are the key properties of 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 283.29 g/mol, XLogP of -1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 80689101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).