(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide

C13H28N2O — CID 79471014

IUPAC(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
SMILESCCC(C)CN(CC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C13H28N2O/c1-6-10(4)9-15(8-3)13(16)12(14)11(5)7-2/h10-12H,6-9,14H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyZVKFMCAXHKLSKI-RAMGSTBQSA-N
MW228.38 g/mol
LogP2.25
Rot. Bonds7

About (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide

(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide (PubChem CID 79471014) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
PubChem CID79471014
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide
SMILESCCC(C)CN(CC)C(=O)[C@@H](N)[C@@H](C)CC
InChIInChI=1S/C13H28N2O/c1-6-10(4)9-15(8-3)13(16)12(14)11(5)7-2/h10-12H,6-9,14H2,1-5H3/t10?,11-,12-/m0/s1
InChIKeyZVKFMCAXHKLSKI-RAMGSTBQSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-ethyl-N-(2-methylbutyl)propanamide
CID 79469965
2-amino-N-ethyl-N-(2-methoxyethyl)-3-methylpentanamide
CID 61446871
3-[[(2S)-2-amino-3-methylpentanoyl]-ethylamino]propanoic acid
CID 62329160
(2S,3S)-2-amino-3-methyl-N,N-dipropylpentanamide
CID 42314652
(2S)-2-amino-N-[3-(diethylamino)propyl]-N-ethyl-3-methylpentanamide
CID 102993086
(2S,3S)-2-amino-N-(2-ethoxyethyl)-N-ethyl-3-methylpentanamide
CID 63690931
2-amino-N-(cyclobutylmethyl)-N-ethyl-3-methylpentanamide
CID 107398412
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
3-amino-N-ethyl-3-hydroxyimino-2-methyl-N-(2-methylbutyl)propanamide
CID 79469921
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
(2S)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-3-methylpentanamide
CID 61172861
(2S)-2-amino-N-(2-cyanoethyl)-3-methyl-N-(2-methylpropyl)pentanamide
CID 61174632

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide (CID 79471014) is (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide is CCC(C)CN(CC)C(=O)[C@@H](N)[C@@H](C)CC.
What is the InChIKey of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide?
The InChIKey is ZVKFMCAXHKLSKI-RAMGSTBQSA-N. The full InChI is InChI=1S/C13H28N2O/c1-6-10(4)9-15(8-3)13(16)12(14)11(5)7-2/h10-12H,6-9,14H2,1-5H3/t10?,11-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide?
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide has a molecular weight of 228.38 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-ethyl-3-methyl-N-(2-methylbutyl)pentanamide is sourced from PubChem (CID 79471014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).