(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid

C12H21N3O4 — CID 81120309

IUPAC(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)N(C)C
InChIInChI=1S/C12H21N3O4/c1-8(10(16)14(2)3)13-12(19)15-6-4-5-9(7-15)11(17)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyUIKRXUKJMSGJBR-YGPZHTELSA-N
MW271.32 g/mol
LogP-0.03
Rot. Bonds3

About (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81120309) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81120309
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)N(C)C
InChIInChI=1S/C12H21N3O4/c1-8(10(16)14(2)3)13-12(19)15-6-4-5-9(7-15)11(17)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1
InChIKeyUIKRXUKJMSGJBR-YGPZHTELSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81120052
1-(1-cyclopropylethylcarbamoyl)piperidine-3-carboxylic acid
CID 43533691
(3R)-1-(1-cyclohexylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120508
(3R)-1-(but-3-yn-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104921713
(3R)-1-(dimethylaminocarbamoyl)piperidine-3-carboxylic acid
CID 83020621
(3S)-1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104863169
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514
(3R)-1-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]piperidine-3-carboxylic acid
CID 81120213
(3S)-1-(pent-4-en-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 104861496
(3R)-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 28511990
1-(2-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 43355771
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid (CID 81120309) is (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid is CC(NC(=O)N1CCC[C@@H](C(=O)O)C1)C(=O)N(C)C.
What is the InChIKey of (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is UIKRXUKJMSGJBR-YGPZHTELSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-8(10(16)14(2)3)13-12(19)15-6-4-5-9(7-15)11(17)18/h8-9H,4-7H2,1-3H3,(H,13,19)(H,17,18)/t8?,9-/m1/s1.
What are the key properties of (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81120309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).