(2S)-5-cyclopropylazepane-2-carboxamide

C10H18N2O — CID 163441383

IUPAC(2S)-5-cyclopropylazepane-2-carboxamide
SMILESNC(=O)[C@@H]1CCC(C2CC2)CCN1
InChIInChI=1S/C10H18N2O/c11-10(13)9-4-3-8(5-6-12-9)7-1-2-7/h7-9,12H,1-6H2,(H2,11,13)/t8?,9-/m0/s1
InChIKeyAYUXAJJIGOMJAQ-GKAPJAKFSA-N
MW182.27 g/mol
LogP0.64
Rot. Bonds2

About (2S)-5-cyclopropylazepane-2-carboxamide

(2S)-5-cyclopropylazepane-2-carboxamide (PubChem CID 163441383) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2S)-5-cyclopropylazepane-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-cyclopropylazepane-2-carboxamide
PubChem CID163441383
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2S)-5-cyclopropylazepane-2-carboxamide
SMILESNC(=O)[C@@H]1CCC(C2CC2)CCN1
InChIInChI=1S/C10H18N2O/c11-10(13)9-4-3-8(5-6-12-9)7-1-2-7/h7-9,12H,1-6H2,(H2,11,13)/t8?,9-/m0/s1
InChIKeyAYUXAJJIGOMJAQ-GKAPJAKFSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidine-2-carboxamide;dihydrobromide
CID 70056458
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
(2R,4S)-piperidine-2,4-dicarboxamide
CID 95970376
(2R,4S)-4-tert-butylpiperidine-2-carboxamide
CID 178190291
(2R,5R)-pyrrolidine-2,5-dicarboxamide
CID 93496955
2-carbamoylpiperidine-4-carboxylic acid;hydrochloride
CID 71756318
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
methyl 4-cyclopropylpiperidine-2-carboxylate
CID 117258400
(3R)-thiomorpholine-3-carboxamide
CID 41097978
[(2R,4S)-2-carbamoylpiperidin-4-yl]methylphosphonic acid
CID 14850749
azetidine-2-carboxylic acid;hydrochloride
CID 45358168
(2R,5R)-5-carbamoylpyrrolidine-2-carboxylic acid
CID 112757650

Frequently Asked Questions

What is the IUPAC name of (2S)-5-cyclopropylazepane-2-carboxamide?
The IUPAC name of (2S)-5-cyclopropylazepane-2-carboxamide (CID 163441383) is (2S)-5-cyclopropylazepane-2-carboxamide.
What is the SMILES notation for (2S)-5-cyclopropylazepane-2-carboxamide?
The canonical SMILES for (2S)-5-cyclopropylazepane-2-carboxamide is NC(=O)[C@@H]1CCC(C2CC2)CCN1.
What is the InChIKey of (2S)-5-cyclopropylazepane-2-carboxamide?
The InChIKey is AYUXAJJIGOMJAQ-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O/c11-10(13)9-4-3-8(5-6-12-9)7-1-2-7/h7-9,12H,1-6H2,(H2,11,13)/t8?,9-/m0/s1.
What are the key properties of (2S)-5-cyclopropylazepane-2-carboxamide?
(2S)-5-cyclopropylazepane-2-carboxamide has a molecular weight of 182.27 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-cyclopropylazepane-2-carboxamide is sourced from PubChem (CID 163441383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).