(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid

C15H26N2O3 — CID 115444265

IUPAC(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-3-1-2-4-8-15)14(20)17-9-5-6-12(10-17)13(18)19/h12H,1-11,16H2,(H,18,19)/t12-/m0/s1
InChIKeyFGEKCYCCTPCMDM-LBPRGKRZSA-N
MW282.38 g/mol
LogP1.61
Rot. Bonds3

About (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid

(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 115444265) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
PubChem CID115444265
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid
SMILESNCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCCCC1
InChIInChI=1S/C15H26N2O3/c16-11-15(7-3-1-2-4-8-15)14(20)17-9-5-6-12(10-17)13(18)19/h12H,1-11,16H2,(H,18,19)/t12-/m0/s1
InChIKeyFGEKCYCCTPCMDM-LBPRGKRZSA-N
XLogP1.61
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 115448527
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
1-[1-(aminomethyl)-4-methylcyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 115441831
(3R)-1-(1-ethylcyclobutanecarbonyl)piperidine-3-carboxylic acid
CID 124576606
[1-(aminomethyl)cyclopentyl]-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 94008212
[1-(aminomethyl)cyclopentyl]-(azepan-1-yl)methanone;hydrochloride
CID 119669538
1-[1-(2-methoxyethyl)cyclopentanecarbonyl]piperidine-3-carboxylic acid
CID 102553827
[1-(aminomethyl)cyclohexyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 94895786
[1-(aminomethyl)cyclohexyl]-(3,4-dimethylpiperazin-1-yl)methanone
CID 63609214
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 79938168
[1-(aminomethyl)cyclopropyl]-piperidin-1-ylmethanone
CID 80587175
(3R)-1-(1-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 81119321

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid (CID 115444265) is (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid is NCC1(C(=O)N2CCC[C@H](C(=O)O)C2)CCCCCC1.
What is the InChIKey of (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is FGEKCYCCTPCMDM-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H26N2O3/c16-11-15(7-3-1-2-4-8-15)14(20)17-9-5-6-12(10-17)13(18)19/h12H,1-11,16H2,(H,18,19)/t12-/m0/s1.
What are the key properties of (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid?
(3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(aminomethyl)cycloheptanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 115444265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).