1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid

C12H20N2O3 — CID 113311227

IUPAC1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-10(9-3-1-6-13-7-9)14-8-12(11(16)17)4-2-5-12/h9,13H,1-8H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyJBNQZMOUQYDOGM-SECBINFHSA-N
MW240.30 g/mol
LogP0.36
Rot. Bonds4

About 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311227) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311227
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)[C@@H]1CCCNC1
InChIInChI=1S/C12H20N2O3/c15-10(9-3-1-6-13-7-9)14-8-12(11(16)17)4-2-5-12/h9,13H,1-8H2,(H,14,15)(H,16,17)/t9-/m1/s1
InChIKeyJBNQZMOUQYDOGM-SECBINFHSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442616
4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 115439966
(3R)-N-[(1-hydroxycyclobutyl)methyl]piperidine-3-carboxamide
CID 104874196
2-[1-[[[(3S)-piperidine-3-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81161187
1-[[(2-piperidin-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433603
1-[(cyclohexanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 69400249
N-[(1-ethylcyclopentyl)methyl]piperidine-3-carboxamide
CID 103797871
(3R)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]piperidine-3-carboxamide
CID 104969411
(3R)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]piperidine-3-carboxamide
CID 81133718
(3S)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134846
(3R)-N-[(2-methyloxolan-2-yl)methyl]piperidine-3-carboxamide
CID 81134961
1-[(morpholine-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445861

Frequently Asked Questions

What is the IUPAC name of 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 113311227) is 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)[C@@H]1CCCNC1.
What is the InChIKey of 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is JBNQZMOUQYDOGM-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N2O3/c15-10(9-3-1-6-13-7-9)14-8-12(11(16)17)4-2-5-12/h9,13H,1-8H2,(H,14,15)(H,16,17)/t9-/m1/s1.
What are the key properties of 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(3R)-piperidine-3-carbonyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).