7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid

C13H24N2O3 — CID 113485787

IUPAC7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
SMILESCC1(NC(=O)NCCCCCCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-13(8-6-9-13)15-12(18)14-10-5-3-2-4-7-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHZLOSVRCUBVSKS-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds8

About 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid

7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid (PubChem CID 113485787) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid.

Molecular Properties

Compound Name7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
PubChem CID113485787
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid
SMILESCC1(NC(=O)NCCCCCCC(=O)O)CCC1
InChIInChI=1S/C13H24N2O3/c1-13(8-6-9-13)15-12(18)14-10-5-3-2-4-7-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyHZLOSVRCUBVSKS-UHFFFAOYSA-N
XLogP2.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-[(1-methylcyclohexanecarbonyl)amino]heptanoic acid
CID 106826162
4-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]heptanoic acid
CID 64686457
6-[(2,2-dimethylcyclohexyl)carbamoylamino]hexanoic acid
CID 79873494
5-[(1-methylcyclopropyl)amino]pentanoic acid
CID 103263978
7-(butylcarbamoylamino)heptanoic acid
CID 28786256
6-(1-cyclopropylethylcarbamoylamino)hexanoic acid
CID 61197551
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
7-[(4,4-dimethylpiperidine-1-carbonyl)amino]heptanoic acid
CID 62931364
6-[1-(dimethylamino)propan-2-ylcarbamoylamino]hexanoic acid
CID 82937405
6-(methylamino)hexanoic acid
CID 4989372
7-[(3-methylpiperidine-3-carbonyl)amino]heptanoic acid
CID 63131790

Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid?
The IUPAC name of 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid (CID 113485787) is 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid.
What is the SMILES notation for 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid?
The canonical SMILES for 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid is CC1(NC(=O)NCCCCCCC(=O)O)CCC1.
What is the InChIKey of 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid?
The InChIKey is HZLOSVRCUBVSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(8-6-9-13)15-12(18)14-10-5-3-2-4-7-11(16)17/h2-10H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid?
7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylcyclobutyl)carbamoylamino]heptanoic acid is sourced from PubChem (CID 113485787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).