(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid

C9H18N2O2 — CID 67330926

IUPAC(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
SMILESCC(C)N[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-8-4-3-5-11(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyPMXYQHQVIKHQMH-MRVPVSSYSA-N
MW186.25 g/mol
LogP1.13
Rot. Bonds2

About (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid

(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid (PubChem CID 67330926) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
PubChem CID67330926
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
SMILESCC(C)N[C@@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-7(2)10-8-4-3-5-11(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyPMXYQHQVIKHQMH-MRVPVSSYSA-N
XLogP1.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
CID 67020499
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-[(2-ethyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 138621802
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
1-[(3R)-3-hydrazinylpiperidin-1-yl]ethanone
CID 129389074
(3S)-3-[[(2S)-2-aminopropanoyl]amino]pyrrolidine-1-carboxylic acid
CID 70098972

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid (CID 67330926) is (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid is CC(C)N[C@@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid?
The InChIKey is PMXYQHQVIKHQMH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)10-8-4-3-5-11(6-8)9(12)13/h7-8,10H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid?
(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 67330926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).