2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid

C12H23N3O3 — CID 54967478

IUPAC2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NCCN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-10(11(16)17)14-12(18)13-6-9-15-7-4-3-5-8-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUVJZIMPMCNETJV-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.63
Rot. Bonds6

About 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid

2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid (PubChem CID 54967478) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
PubChem CID54967478
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NCCN1CCCCC1)C(=O)O
InChIInChI=1S/C12H23N3O3/c1-2-10(11(16)17)14-12(18)13-6-9-15-7-4-3-5-8-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18)
InChIKeyUVJZIMPMCNETJV-UHFFFAOYSA-N
XLogP0.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)hexanoic acid
CID 107146051
(2R)-4-hydroxy-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)butanoic acid
CID 114005613
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
3-hydroxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
CID 61408498
(2R)-4-methyl-2-(2-morpholin-4-ylethylcarbamoylamino)pentanoic acid
CID 78976341
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
3-methoxy-2-(2-piperazin-1-ylethylcarbamoylamino)propanoic acid
CID 81086134
3-methoxy-2-(2-thiomorpholin-4-ylethylcarbamoylamino)propanoic acid
CID 106326224
(2S)-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]butanoic acid
CID 103995647
2-(2-thiomorpholin-4-ylethylcarbamoylamino)pentanedioic acid
CID 106326231
1-(2-piperidin-1-ylethyl)-3-tetradecylurea
CID 139652340

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid (CID 54967478) is 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid is CCC(NC(=O)NCCN1CCCCC1)C(=O)O.
What is the InChIKey of 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid?
The InChIKey is UVJZIMPMCNETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-10(11(16)17)14-12(18)13-6-9-15-7-4-3-5-8-15/h10H,2-9H2,1H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid?
2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid has a molecular weight of 257.33 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 54967478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).