4-(3-cyclodecylpropylamino)-4-oxobutanoic acid

C17H31NO3 — CID 146506489

IUPAC4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCC1CCCCCCCCC1
InChIInChI=1S/C17H31NO3/c19-16(12-13-17(20)21)18-14-8-11-15-9-6-4-2-1-3-5-7-10-15/h15H,1-14H2,(H,18,19)(H,20,21)
InChIKeyIJZZKNKOMWHCKU-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.89
Rot. Bonds7

About 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid

4-(3-cyclodecylpropylamino)-4-oxobutanoic acid (PubChem CID 146506489) has the molecular formula C17H31NO3 and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
PubChem CID146506489
Molecular FormulaC17H31NO3
Molecular Weight297.44 g/mol
Exact Mass297.23
IUPAC Name4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCCC1CCCCCCCCC1
InChIInChI=1S/C17H31NO3/c19-16(12-13-17(20)21)18-14-8-11-15-9-6-4-2-1-3-5-7-10-15/h15H,1-14H2,(H,18,19)(H,20,21)
InChIKeyIJZZKNKOMWHCKU-UHFFFAOYSA-N
XLogP3.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-cyclohexylethylamino)-4-oxobutanoic acid
CID 60919559
3-(4-cyclohexylbutanoylamino)propanoic acid
CID 43241269
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
3-cyclohexylpropylcarbamic acid
CID 54479876
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
N-[3-(3-cyclohexylpropylamino)-3-oxopropyl]cyclohexanecarboxamide
CID 86877893
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
CID 5183874
2-(4-cyclohexylbutanoylamino)acetic acid
CID 15704415
4-amino-N-(3-cyclohexylpropyl)pentanamide;hydrochloride
CID 120560365
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid (CID 146506489) is 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NCCCC1CCCCCCCCC1.
What is the InChIKey of 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid?
The InChIKey is IJZZKNKOMWHCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO3/c19-16(12-13-17(20)21)18-14-8-11-15-9-6-4-2-1-3-5-7-10-15/h15H,1-14H2,(H,18,19)(H,20,21).
What are the key properties of 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid?
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid has a molecular weight of 297.44 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclodecylpropylamino)-4-oxobutanoic acid is sourced from PubChem (CID 146506489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).