(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid

C14H23N3O4 — CID 81118415

IUPAC(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(CCCNC(=O)N1CCC[C@H](C(=O)O)C1)NC1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-11-5-6-11)4-1-7-15-14(21)17-8-2-3-10(9-17)13(19)20/h10-11H,1-9H2,(H,15,21)(H,16,18)(H,19,20)/t10-/m0/s1
InChIKeyIVXDAFNOAAXAQW-JTQLQIEISA-N
MW297.36 g/mol
LogP0.55
Rot. Bonds6

About (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid

(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 81118415) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID81118415
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(CCCNC(=O)N1CCC[C@H](C(=O)O)C1)NC1CC1
InChIInChI=1S/C14H23N3O4/c18-12(16-11-5-6-11)4-1-7-15-14(21)17-8-2-3-10(9-17)13(19)20/h10-11H,1-9H2,(H,15,21)(H,16,18)(H,19,20)/t10-/m0/s1
InChIKeyIVXDAFNOAAXAQW-JTQLQIEISA-N
XLogP0.55
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.55
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-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid
CID 79381622
1-[[3-(cyclopropylamino)-3-oxopropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 79400729
1-[[2-(cyclopropylamino)-2-oxoethyl]carbamoyl]piperidine-3-carboxylic acid
CID 43568585
(3R)-1-[(5-amino-5-oxopentyl)carbamoyl]piperidine-3-carboxylic acid
CID 106239155
(3R)-1-(pent-4-ynylcarbamoyl)piperidine-3-carboxylic acid
CID 106222833
N-[3-(cyclopropylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116656665
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-(5-methylhexylcarbamoyl)piperidine-3-carboxylic acid
CID 113287747
1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83113986
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
(3S)-1-(2-cyclopentylethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125798

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid (CID 81118415) is (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid is O=C(CCCNC(=O)N1CCC[C@H](C(=O)O)C1)NC1CC1.
What is the InChIKey of (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is IVXDAFNOAAXAQW-JTQLQIEISA-N. The full InChI is InChI=1S/C14H23N3O4/c18-12(16-11-5-6-11)4-1-7-15-14(21)17-8-2-3-10(9-17)13(19)20/h10-11H,1-9H2,(H,15,21)(H,16,18)(H,19,20)/t10-/m0/s1.
What are the key properties of (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 297.36 g/mol, XLogP of 0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).