(2S)-2-amino-N-ethyl-3-methylpentanamide

C8H18N2O — CID 61172974

IUPAC(2S)-2-amino-N-ethyl-3-methylpentanamide
SMILESCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C8H18N2O/c1-4-6(3)7(9)8(11)10-5-2/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyJZAVLWNRYOVJON-MLWJPKLSSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About (2S)-2-amino-N-ethyl-3-methylpentanamide

(2S)-2-amino-N-ethyl-3-methylpentanamide (PubChem CID 61172974) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is (2S)-2-amino-N-ethyl-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-ethyl-3-methylpentanamide
PubChem CID61172974
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-ethyl-3-methylpentanamide
SMILESCCNC(=O)[C@@H](N)C(C)CC
InChIInChI=1S/C8H18N2O/c1-4-6(3)7(9)8(11)10-5-2/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1
InChIKeyJZAVLWNRYOVJON-MLWJPKLSSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylpentanamide
CID 61154563
(2S,3S)-2-amino-N-[(2R)-2-hydroxypropyl]-3-methylpentanamide
CID 93083392
2-amino-3-methyl-N-(2-methylbutyl)pentanamide
CID 62693739
N-(2-acetamidoethyl)-2-amino-3-methylpentanamide
CID 43552884
2-amino-N-(2,2-difluoroethyl)-3-methylpentanamide
CID 81489680
(2S)-2-amino-3-methyl-N-pentylpentanamide
CID 22690936
(2S,3R)-2-amino-N-hydroxy-3-methylpentanamide
CID 129369774
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-methylpropanoic acid
CID 62669365
(2S,3S)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-methylpentanamide
CID 103950762
(2S)-2-amino-3-methyl-N-octadecylpentanamide
CID 58604652
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
(2S)-2-amino-3-methyl-N-(2-methylsulfanylethyl)pentanamide
CID 63958849

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-ethyl-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-ethyl-3-methylpentanamide (CID 61172974) is (2S)-2-amino-N-ethyl-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-ethyl-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-ethyl-3-methylpentanamide is CCNC(=O)[C@@H](N)C(C)CC.
What is the InChIKey of (2S)-2-amino-N-ethyl-3-methylpentanamide?
The InChIKey is JZAVLWNRYOVJON-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-6(3)7(9)8(11)10-5-2/h6-7H,4-5,9H2,1-3H3,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-N-ethyl-3-methylpentanamide?
(2S)-2-amino-N-ethyl-3-methylpentanamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-ethyl-3-methylpentanamide is sourced from PubChem (CID 61172974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).