(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid

C11H20N2O3 — CID 78986525

IUPAC(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN(C(=O)N[C@H](C)C(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-13(9(7)3)11(16)12-8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9?/m1/s1
InChIKeyRZWQXFLFJSFOOJ-QJAFJHJLSA-N
MW228.29 g/mol
LogP1.29
Rot. Bonds2

About (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid

(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 78986525) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID78986525
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCN(C(=O)N[C@H](C)C(=O)O)C1C
InChIInChI=1S/C11H20N2O3/c1-7-5-4-6-13(9(7)3)11(16)12-8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9?/m1/s1
InChIKeyRZWQXFLFJSFOOJ-QJAFJHJLSA-N
XLogP1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
(2S)-2-[(2-methylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61207464
2-[(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200145
2-[(2-methoxycarbonylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61199397
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
CID 62637898
2-[[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 102783165
3-methyl-1-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]carbamoyl]piperidine-2-carboxylic acid
CID 107071850
(2S)-4-[(2,3-dimethylpiperidine-1-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007449
(2R)-2-[(2-ethylazepane-1-carbonyl)amino]propanoic acid
CID 104690934
1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071445
1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid (CID 78986525) is (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCCN(C(=O)N[C@H](C)C(=O)O)C1C.
What is the InChIKey of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is RZWQXFLFJSFOOJ-QJAFJHJLSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-7-5-4-6-13(9(7)3)11(16)12-8(2)10(14)15/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9?/m1/s1.
What are the key properties of (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid?
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 78986525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).