5-amino-1-propan-2-ylpiperidine-3-carboxylic acid

C9H18N2O2 — CID 83989066

IUPAC5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CC(N)CC(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)11-4-7(9(12)13)3-8(10)5-11/h6-8H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyAPDYFUXTRRXJLL-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.13
Rot. Bonds2

About 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid

5-amino-1-propan-2-ylpiperidine-3-carboxylic acid (PubChem CID 83989066) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
PubChem CID83989066
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name5-amino-1-propan-2-ylpiperidine-3-carboxylic acid
SMILESCC(C)N1CC(N)CC(C(=O)O)C1
InChIInChI=1S/C9H18N2O2/c1-6(2)11-4-7(9(12)13)3-8(10)5-11/h6-8H,3-5,10H2,1-2H3,(H,12,13)
InChIKeyAPDYFUXTRRXJLL-UHFFFAOYSA-N
XLogP0.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-aminopiperidine-3-carboxylic acid
CID 83989133
1-propan-2-ylazetidin-3-amine;hydrochloride
CID 134588428
5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83989059
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400
1-(5-amino-1-propan-2-ylpiperidin-3-yl)-3-methylbutan-2-ol
CID 83989078
(3aS,6aR)-2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 153474508
(3R,5S)-5-acetyl-1-methylpiperidine-3-carboxylic acid
CID 59778322
(3S)-3-aminocyclohexane-1-carboxylic acid
CID 67383005
(3R)-1-propan-2-ylpiperidine-3-carboxamide
CID 58431105
3-methyl-1-(1-propan-2-ylazetidin-3-yl)butan-2-one
CID 147367258
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid?
The IUPAC name of 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid (CID 83989066) is 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid?
The canonical SMILES for 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid is CC(C)N1CC(N)CC(C(=O)O)C1.
What is the InChIKey of 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid?
The InChIKey is APDYFUXTRRXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(2)11-4-7(9(12)13)3-8(10)5-11/h6-8H,3-5,10H2,1-2H3,(H,12,13).
What are the key properties of 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid?
5-amino-1-propan-2-ylpiperidine-3-carboxylic acid has a molecular weight of 186.25 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-propan-2-ylpiperidine-3-carboxylic acid is sourced from PubChem (CID 83989066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).