(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide

C9H20N2O2 — CID 22690993

IUPAC(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
SMILESCOCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)6-8(10)9(12)11-4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyCWXFLZLSSFQJFN-QMMMGPOBSA-N
MW188.27 g/mol
LogP0.12
Rot. Bonds6

About (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide

(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide (PubChem CID 22690993) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
PubChem CID22690993
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide
SMILESCOCCNC(=O)[C@@H](N)CC(C)C
InChIInChI=1S/C9H20N2O2/c1-7(2)6-8(10)9(12)11-4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1
InChIKeyCWXFLZLSSFQJFN-QMMMGPOBSA-N
XLogP0.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Leucyl-leucine-methyl ester
CID 7016877
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}cyclohexanecarboxamide
CID 4191585
LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
N-Acetyl-Leucyl-Leucinal
CID 18458068
(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]propanoate
CID 6992295
(2S)-2-amino-N-[(1S)-1-formyl-3-methyl-butyl]-4-methyl-pentanamide
CID 484685
N-{1-[(2-methoxyethyl)amino]-3-methyl-1-oxobutan-2-yl}-4-methylcyclohexanecarboxamide
CID 15991680
Ac-leu-nhme
CID 6950977
ALA zwitterion
CID 7016118
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-butylpentanamide
CID 10612186
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide (CID 22690993) is (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide is COCCNC(=O)[C@@H](N)CC(C)C.
What is the InChIKey of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide?
The InChIKey is CWXFLZLSSFQJFN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(2)6-8(10)9(12)11-4-5-13-3/h7-8H,4-6,10H2,1-3H3,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide?
(2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide has a molecular weight of 188.27 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methoxyethyl)-4-methylpentanamide is sourced from PubChem (CID 22690993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).