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

C12H26N2O — CID 104878219

IUPAC(2R)-2-amino-N-octan-4-ylbutanamide
SMILESCCCCC(CCC)NC(=O)[C@H](N)CC
InChIInChI=1S/C12H26N2O/c1-4-7-9-10(8-5-2)14-12(15)11(13)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyNIFNETKWXOXQIG-RRKGBCIJSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds8

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

(2R)-2-amino-N-octan-4-ylbutanamide (PubChem CID 104878219) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is (2R)-2-amino-N-octan-4-ylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-octan-4-ylbutanamide
PubChem CID104878219
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name(2R)-2-amino-N-octan-4-ylbutanamide
SMILESCCCCC(CCC)NC(=O)[C@H](N)CC
InChIInChI=1S/C12H26N2O/c1-4-7-9-10(8-5-2)14-12(15)11(13)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t10?,11-/m1/s1
InChIKeyNIFNETKWXOXQIG-RRKGBCIJSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-octan-4-ylpentanamide
CID 103797903
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
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
(2S)-2-amino-N-(1-hydroxybutan-2-yl)hexanamide
CID 107143870
(2S)-2-amino-N-(1,3-dihydroxypropan-2-yl)hexanamide
CID 107145775
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147
2-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103869500
(2S)-2-amino-3-(4-hydroxyphenyl)-N-octan-4-ylpropanamide
CID 106025742
(2S)-2-amino-N-[(2S)-1-hydroxybutan-2-yl]pentanamide
CID 107571000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-octan-4-ylbutanamide?
The IUPAC name of (2R)-2-amino-N-octan-4-ylbutanamide (CID 104878219) is (2R)-2-amino-N-octan-4-ylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-octan-4-ylbutanamide?
The canonical SMILES for (2R)-2-amino-N-octan-4-ylbutanamide is CCCCC(CCC)NC(=O)[C@H](N)CC.
What is the InChIKey of (2R)-2-amino-N-octan-4-ylbutanamide?
The InChIKey is NIFNETKWXOXQIG-RRKGBCIJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-9-10(8-5-2)14-12(15)11(13)6-3/h10-11H,4-9,13H2,1-3H3,(H,14,15)/t10?,11-/m1/s1.
What are the key properties of (2R)-2-amino-N-octan-4-ylbutanamide?
(2R)-2-amino-N-octan-4-ylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 8 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-ylbutanamide is sourced from PubChem (CID 104878219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).