7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid

C15H28N2O4 — CID 102865277

IUPAC7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H28N2O4/c18-12-6-11-17(13-7-5-8-13)15(21)16-10-4-2-1-3-9-14(19)20/h13,18H,1-12H2,(H,16,21)(H,19,20)
InChIKeyBNKSPADSIXVFTO-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.97
Rot. Bonds11

About 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid

7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid (PubChem CID 102865277) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid.

Molecular Properties

Compound Name7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
PubChem CID102865277
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid
SMILESO=C(O)CCCCCCNC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C15H28N2O4/c18-12-6-11-17(13-7-5-8-13)15(21)16-10-4-2-1-3-9-14(19)20/h13,18H,1-12H2,(H,16,21)(H,19,20)
InChIKeyBNKSPADSIXVFTO-UHFFFAOYSA-N
XLogP1.97
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[cyclobutyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 102865736
7-[[cycloheptyl(methyl)carbamoyl]amino]heptanoic acid
CID 61201091
4-[[cyclopentyl(2-phenylethyl)carbamoyl]amino]butanoic acid
CID 122022295
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
1-cyclobutyl-1-(3-hydroxypropyl)-3-propan-2-ylurea
CID 102846228
7-[[ethyl(2-hydroxyethyl)carbamoyl]amino]heptanoic acid
CID 61207638
7-[[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]heptanoic acid
CID 62547378
5-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686476
6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
6-[cyclohexyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 54875131

Frequently Asked Questions

What is the IUPAC name of 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid?
The IUPAC name of 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid (CID 102865277) is 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid.
What is the SMILES notation for 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid?
The canonical SMILES for 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid is O=C(O)CCCCCCNC(=O)N(CCCO)C1CCC1.
What is the InChIKey of 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid?
The InChIKey is BNKSPADSIXVFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c18-12-6-11-17(13-7-5-8-13)15(21)16-10-4-2-1-3-9-14(19)20/h13,18H,1-12H2,(H,16,21)(H,19,20).
What are the key properties of 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid?
7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.97, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[cyclobutyl(3-hydroxypropyl)carbamoyl]amino]heptanoic acid is sourced from PubChem (CID 102865277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).