(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide

C11H21N3O2 — CID 8623559

IUPAC(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCCCCCC1
InChIInChI=1S/C11H21N3O2/c1-9(10(15)13-11(12)16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H3,12,13,15,16)/t9-/m0/s1
InChIKeyZSBXRAURIMHGHV-VIFPVBQESA-N
MW227.31 g/mol
LogP0.84
Rot. Bonds2

About (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide

(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide (PubChem CID 8623559) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide.

Molecular Properties

Compound Name(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide
PubChem CID8623559
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide
SMILESC[C@@H](C(=O)NC(N)=O)N1CCCCCCC1
InChIInChI=1S/C11H21N3O2/c1-9(10(15)13-11(12)16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H3,12,13,15,16)/t9-/m0/s1
InChIKeyZSBXRAURIMHGHV-VIFPVBQESA-N
XLogP0.84
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide?
The IUPAC name of (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide (CID 8623559) is (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide.
What is the SMILES notation for (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide?
The canonical SMILES for (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide is C[C@@H](C(=O)NC(N)=O)N1CCCCCCC1.
What is the InChIKey of (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide?
The InChIKey is ZSBXRAURIMHGHV-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(10(15)13-11(12)16)14-7-5-3-2-4-6-8-14/h9H,2-8H2,1H3,(H3,12,13,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide?
(2S)-2-(azocan-1-yl)-N-carbamoylpropanamide has a molecular weight of 227.31 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(azocan-1-yl)-N-carbamoylpropanamide is sourced from PubChem (CID 8623559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).