(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide

C12H24N2O2 — CID 107570144

IUPAC(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-4-11(13)12(15)14(2)7-8-16-9-10-5-6-10/h10-11H,3-9,13H2,1-2H3/t11-/m0/s1
InChIKeyMDLDUJSABCIWBI-NSHDSACASA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds8

About (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide

(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide (PubChem CID 107570144) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
PubChem CID107570144
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide
SMILESCCC[C@H](N)C(=O)N(C)CCOCC1CC1
InChIInChI=1S/C12H24N2O2/c1-3-4-11(13)12(15)14(2)7-8-16-9-10-5-6-10/h10-11H,3-9,13H2,1-2H3/t11-/m0/s1
InChIKeyMDLDUJSABCIWBI-NSHDSACASA-N
XLogP1.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119340566
2-amino-N-(2-ethoxyethyl)-N-methylpentanamide
CID 81058843
2-(aminomethyl)-N-[2-(cyclopropylmethoxy)ethyl]-N,4,4-trimethylpentanamide
CID 107472450
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
cyclopropylmethyl (2S)-2-aminopentanoate
CID 107565685
(2R)-2-amino-N-(cyclobutylmethyl)-N-methylpentanamide
CID 103796269
(2S)-2-amino-N-(cyclohexylmethyl)-N-methylpentanamide
CID 107568999
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
2-acetamido-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-3-sulfanylpropanamide
CID 107769716
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N,2-dimethylpropanamide
CID 103430227

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide (CID 107570144) is (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide is CCC[C@H](N)C(=O)N(C)CCOCC1CC1.
What is the InChIKey of (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide?
The InChIKey is MDLDUJSABCIWBI-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-4-11(13)12(15)14(2)7-8-16-9-10-5-6-10/h10-11H,3-9,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide?
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide has a molecular weight of 228.34 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 107570144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).