(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid

C10H20N2O2 — CID 67020499

IUPAC(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-8-5-4-6-12(7-8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyZVAGKJKQMYDDDV-QMMMGPOBSA-N
MW200.28 g/mol
LogP1.52
Rot. Bonds1

About (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid

(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid (PubChem CID 67020499) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
PubChem CID67020499
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid
SMILESCC(C)(C)N[C@H]1CCCN(C(=O)O)C1
InChIInChI=1S/C10H20N2O2/c1-10(2,3)11-8-5-4-6-12(7-8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyZVAGKJKQMYDDDV-QMMMGPOBSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(propan-2-ylamino)piperidine-1-carboxylic acid
CID 67330926
3-hydrazinylpiperidine-1-carboxylic acid
CID 126736285
(3R)-3-(cyclopentylamino)piperidine-1-carboxylic acid
CID 69317437
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
(3R)-3-(cyclohexylamino)piperidine-1-carboxylic acid
CID 68661844
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
3-(methoxycarbonylamino)piperidine-1-carboxylic acid
CID 174735066
3-[(2-ethyl-2-hydroxybutanoyl)amino]piperidine-1-carboxylic acid
CID 138621802
3-methylpiperidine-1-carboxylic acid
CID 22047728
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
1-[(3R)-3-hydrazinylpiperidin-1-yl]ethanone
CID 129389074
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid?
The IUPAC name of (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid (CID 67020499) is (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid?
The canonical SMILES for (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid is CC(C)(C)N[C@H]1CCCN(C(=O)O)C1.
What is the InChIKey of (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid?
The InChIKey is ZVAGKJKQMYDDDV-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2,3)11-8-5-4-6-12(7-8)9(13)14/h8,11H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid?
(3S)-3-(tert-butylamino)piperidine-1-carboxylic acid has a molecular weight of 200.28 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(tert-butylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 67020499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).