(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid

C12H21N3O4 — CID 106239155

IUPAC(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESNC(=O)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c13-10(16)5-1-2-6-14-12(19)15-7-3-4-9(8-15)11(17)18/h9H,1-8H2,(H2,13,16)(H,14,19)(H,17,18)/t9-/m1/s1
InChIKeyBWYWWRMPJVCURX-SECBINFHSA-N
MW271.32 g/mol
LogP0.15
Rot. Bonds6

About (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid

(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 106239155) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID106239155
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
SMILESNC(=O)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H21N3O4/c13-10(16)5-1-2-6-14-12(19)15-7-3-4-9(8-15)11(17)18/h9H,1-8H2,(H2,13,16)(H,14,19)(H,17,18)/t9-/m1/s1
InChIKeyBWYWWRMPJVCURX-SECBINFHSA-N
XLogP0.15
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
1-[(3-amino-3-oxopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032084
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 81118415
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 79381622
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3R)-1-(but-3-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 81120069
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid (CID 106239155) is (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid is NC(=O)CCCCNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is BWYWWRMPJVCURX-SECBINFHSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-10(16)5-1-2-6-14-12(19)15-7-3-4-9(8-15)11(17)18/h9H,1-8H2,(H2,13,16)(H,14,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 106239155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).