(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide

C12H25N3O2 — CID 113304795

IUPAC(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC(=O)NCCC
InChIInChI=1S/C12H25N3O2/c1-3-5-6-10(13)12(17)15-9-7-11(16)14-8-4-2/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyWFWFYVPQBPGFDD-JTQLQIEISA-N
MW243.35 g/mol
LogP0.54
Rot. Bonds9

About (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide

(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide (PubChem CID 113304795) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
PubChem CID113304795
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
SMILESCCCC[C@H](N)C(=O)NCCC(=O)NCCC
InChIInChI=1S/C12H25N3O2/c1-3-5-6-10(13)12(17)15-9-7-11(16)14-8-4-2/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1
InChIKeyWFWFYVPQBPGFDD-JTQLQIEISA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
2-amino-N-hexylhexanamide
CID 60852762
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
2-amino-N-propylpentanamide
CID 43649977
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
N-[(5S)-5-amino-6-[3-[4-(butylamino)butylamino]propylamino]-6-oxohexyl]octanamide
CID 159397437
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682
2-amino-5-methoxy-N-propylpentanamide
CID 81082005
[5-amino-6-oxo-6-(propylamino)hexyl]carbamic acid
CID 57250852
(2R)-2-amino-N-butylpentanamide
CID 82668431
(4R)-4-amino-N-propylpentanamide
CID 146234117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide?
The IUPAC name of (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide (CID 113304795) is (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide?
The canonical SMILES for (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide is CCCC[C@H](N)C(=O)NCCC(=O)NCCC.
What is the InChIKey of (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide?
The InChIKey is WFWFYVPQBPGFDD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-5-6-10(13)12(17)15-9-7-11(16)14-8-4-2/h10H,3-9,13H2,1-2H3,(H,14,16)(H,15,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide?
(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide has a molecular weight of 243.35 g/mol, XLogP of 0.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide is sourced from PubChem (CID 113304795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).