(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide

C16H32N4O2 — CID 67565113

IUPAC(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide
SMILESCNCCC[C@H](NC(=O)CN)C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H32N4O2/c1-18-10-5-8-14(20-15(21)12-17)16(22)19-11-9-13-6-3-2-4-7-13/h13-14,18H,2-12,17H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyOYCFZLYZZPGFAQ-AWEZNQCLSA-N
MW312.46 g/mol
LogP0.52
Rot. Bonds10

About (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide

(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide (PubChem CID 67565113) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide
PubChem CID67565113
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide
SMILESCNCCC[C@H](NC(=O)CN)C(=O)NCCC1CCCCC1
InChIInChI=1S/C16H32N4O2/c1-18-10-5-8-14(20-15(21)12-17)16(22)19-11-9-13-6-3-2-4-7-13/h13-14,18H,2-12,17H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyOYCFZLYZZPGFAQ-AWEZNQCLSA-N
XLogP0.52
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide with MolForge

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Related Compounds

N-[(2S)-1-[[(2S)-6-amino-1-(2-cyclohexylethylamino)-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-10-hydroxydecanamide
CID 78333409
N-(2-cyclohexylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195699
4-amino-2-[(2-aminoacetyl)amino]-N-(1-amino-3-cyclohexyl-1-oxopropan-2-yl)butanamide
CID 170598169
2-(2-cyclohexylethylcarbamoylamino)hexanoic acid
CID 61206108
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
(2S)-2-amino-N-(2-cyclohexylethyl)-3-hydroxypropanamide
CID 70364930
3-cyclohexyl-N-methylpropan-1-amine
CID 3028091
(2R)-2-amino-N-(2-cyclooctylethyl)-3-hydroxypropanamide;hydrochloride
CID 154912241
3-(2-cyclohexylethylamino)-2-(methylamino)-3-oxopropanoic acid
CID 115189528
N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
CID 88975780
5-amino-N-(2-cyclopentylethyl)hexanamide
CID 82852565
2-amino-N-(2-cyclopentylethyl)-3-hydroxypropanamide
CID 115180115

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide (CID 67565113) is (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide is CNCCC[C@H](NC(=O)CN)C(=O)NCCC1CCCCC1.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide?
The InChIKey is OYCFZLYZZPGFAQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-18-10-5-8-14(20-15(21)12-17)16(22)19-11-9-13-6-3-2-4-7-13/h13-14,18H,2-12,17H2,1H3,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide?
(2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide has a molecular weight of 312.46 g/mol, XLogP of 0.52, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-N-(2-cyclohexylethyl)-5-(methylamino)pentanamide is sourced from PubChem (CID 67565113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).