4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid

C15H28N2O2 — CID 65076211

IUPAC4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
SMILESCC(C)N1CCCC(NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-10-5-8-15(9-11-17,14(18)19)16-13-6-3-4-7-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyDVVWHUXRNZYQKO-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.24
Rot. Bonds4

About 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid

4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid (PubChem CID 65076211) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid.

Molecular Properties

Compound Name4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
PubChem CID65076211
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
SMILESCC(C)N1CCCC(NC2CCCC2)(C(=O)O)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)17-10-5-8-15(9-11-17,14(18)19)16-13-6-3-4-7-13/h12-13,16H,3-11H2,1-2H3,(H,18,19)
InChIKeyDVVWHUXRNZYQKO-UHFFFAOYSA-N
XLogP2.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylamino)-1-propan-2-ylazepane-4-carboxamide
CID 65075797
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
methyl 4-(cyclohexylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60999032
4-(cyclopropylamino)-1-methylazepane-4-carboxylic acid
CID 65075425
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
4-(cyclopentylamino)-1-ethylpiperidine-4-carboxylic acid
CID 54894276
methyl 4-(cyclopropylamino)-1-propan-2-ylpiperidine-4-carboxylate
CID 60797308
1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
4-acetamido-1-propan-2-ylpiperidine-4-carboxylic acid
CID 63702401
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60998086
4-(benzylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65075754

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid?
The IUPAC name of 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid (CID 65076211) is 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid.
What is the SMILES notation for 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid?
The canonical SMILES for 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid is CC(C)N1CCCC(NC2CCCC2)(C(=O)O)CC1.
What is the InChIKey of 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid?
The InChIKey is DVVWHUXRNZYQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)17-10-5-8-15(9-11-17,14(18)19)16-13-6-3-4-7-13/h12-13,16H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid?
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid is sourced from PubChem (CID 65076211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).