(2R)-2-amino-N-octan-4-ylpentanamide

C13H28N2O — CID 103797903

IUPAC(2R)-2-amino-N-octan-4-ylpentanamide
SMILESCCCCC(CCC)NC(=O)[C@H](N)CCC
InChIInChI=1S/C13H28N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14)9-6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)/t11?,12-/m1/s1
InChIKeyXJCSRUUHCIMHCD-PIJUOVFKSA-N
MW228.38 g/mol
LogP2.59
Rot. Bonds9

About (2R)-2-amino-N-octan-4-ylpentanamide

(2R)-2-amino-N-octan-4-ylpentanamide (PubChem CID 103797903) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2R)-2-amino-N-octan-4-ylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-octan-4-ylpentanamide
PubChem CID103797903
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2R)-2-amino-N-octan-4-ylpentanamide
SMILESCCCCC(CCC)NC(=O)[C@H](N)CCC
InChIInChI=1S/C13H28N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14)9-6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)/t11?,12-/m1/s1
InChIKeyXJCSRUUHCIMHCD-PIJUOVFKSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-octan-4-ylbutanamide
CID 104878219
2-amino-N-octan-4-ylbutanediamide
CID 113288677
(2S)-2-amino-N-hexan-3-ylpentanamide
CID 107569552
2-amino-5-methoxy-N-octan-4-ylpentanamide
CID 114138350
(2S)-2-amino-N-octan-4-ylpropanamide;hydrochloride
CID 119342416
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
CID 106025742
2-methyl-3-(octan-4-ylamino)-3-oxopropanoic acid
CID 106021991
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000
2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107222375

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-octan-4-ylpentanamide?
The IUPAC name of (2R)-2-amino-N-octan-4-ylpentanamide (CID 103797903) is (2R)-2-amino-N-octan-4-ylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-octan-4-ylpentanamide?
The canonical SMILES for (2R)-2-amino-N-octan-4-ylpentanamide is CCCCC(CCC)NC(=O)[C@H](N)CCC.
What is the InChIKey of (2R)-2-amino-N-octan-4-ylpentanamide?
The InChIKey is XJCSRUUHCIMHCD-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-10-11(8-5-2)15-13(16)12(14)9-6-3/h11-12H,4-10,14H2,1-3H3,(H,15,16)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-octan-4-ylpentanamide?
(2R)-2-amino-N-octan-4-ylpentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.59, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-octan-4-ylpentanamide is sourced from PubChem (CID 103797903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).