(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid

C9H16N2O3 — CID 81120275

IUPAC(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
SMILESCNCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10-5-8(12)11-4-2-3-7(6-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyKZXAEKUCGGOJJZ-SSDOTTSWSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds3

About (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid (PubChem CID 81120275) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
PubChem CID81120275
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
SMILESCNCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C9H16N2O3/c1-10-5-8(12)11-4-2-3-7(6-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m1/s1
InChIKeyKZXAEKUCGGOJJZ-SSDOTTSWSA-N
XLogP-0.47
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
1-[2-(cyclopentylamino)acetyl]piperidine-3-carboxylic acid
CID 61156810
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-(4-methylpentanoylamino)acetyl]piperidine-3-carboxylic acid
CID 119167835
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
(3S)-1-(2-propan-2-ylsulfanylacetyl)piperidine-3-carboxylic acid
CID 81126040
(3R)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-3-carboxylic acid
CID 139554798
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
1-[(3R)-3-[(1R)-1-hydroxyethyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 129496090

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid (CID 81120275) is (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid is CNCC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid?
The InChIKey is KZXAEKUCGGOJJZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10-5-8(12)11-4-2-3-7(6-11)9(13)14/h7,10H,2-6H2,1H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid has a molecular weight of 200.24 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).