3-(cyclopropylamino)-4-oxopentanoic acid

C8H13NO3 — CID 59945889

IUPAC3-(cyclopropylamino)-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NC1CC1
InChIInChI=1S/C8H13NO3/c1-5(10)7(4-8(11)12)9-6-2-3-6/h6-7,9H,2-4H2,1H3,(H,11,12)
InChIKeyTVQMIOJIGRMDHE-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds5

About 3-(cyclopropylamino)-4-oxopentanoic acid

3-(cyclopropylamino)-4-oxopentanoic acid (PubChem CID 59945889) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-oxopentanoic acid
PubChem CID59945889
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-(cyclopropylamino)-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NC1CC1
InChIInChI=1S/C8H13NO3/c1-5(10)7(4-8(11)12)9-6-2-3-6/h6-7,9H,2-4H2,1H3,(H,11,12)
InChIKeyTVQMIOJIGRMDHE-UHFFFAOYSA-N
XLogP0.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methylaminolevulinic acid
CID 18730697
(3S)-3-(methylamino)-4-oxopentanoic acid
CID 53897766
Hexylaminolavulinsaure
CID 87127464
Methylaminooxopentansaure
CID 87194656
5-Fluoro-3-(methylamino)-4-oxopentanoic acid
CID 21137008
CID 166600374
CID 166600374
5-Fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid
CID 142088460
(2R)-2-(methylamino)-4-oxopentanoic acid
CID 10975615
3-(Methylamino)-4-oxopentanoic acid
CID 18722032
Potassium 3-(methylamino)-4-oxopentanoate
CID 21339511
3-Acetamido-4-oxopentanoic acid
CID 57119459
Sodium 3-(methylamino)-4-oxopentanoate
CID 57774020

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-oxopentanoic acid?
The IUPAC name of 3-(cyclopropylamino)-4-oxopentanoic acid (CID 59945889) is 3-(cyclopropylamino)-4-oxopentanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-4-oxopentanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-4-oxopentanoic acid is CC(=O)C(CC(=O)O)NC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-4-oxopentanoic acid?
The InChIKey is TVQMIOJIGRMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)7(4-8(11)12)9-6-2-3-6/h6-7,9H,2-4H2,1H3,(H,11,12).
What are the key properties of 3-(cyclopropylamino)-4-oxopentanoic acid?
3-(cyclopropylamino)-4-oxopentanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-oxopentanoic acid is sourced from PubChem (CID 59945889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).