(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide

C9H20N2O2 — CID 107199234

IUPAC(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)CCCCCO
InChIInChI=1S/C9H20N2O2/c1-8(10)9(13)11(2)6-4-3-5-7-12/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyUPZTZRUCHCWGDB-QMMMGPOBSA-N
MW188.27 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide

(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide (PubChem CID 107199234) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
PubChem CID107199234
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
SMILESC[C@H](N)C(=O)N(C)CCCCCO
InChIInChI=1S/C9H20N2O2/c1-8(10)9(13)11(2)6-4-3-5-7-12/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1
InChIKeyUPZTZRUCHCWGDB-QMMMGPOBSA-N
XLogP-0.05
TPSA66.56 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 ≤ 5-0.05
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

2-amino-N-(2-hydroxyethyl)-N-methylpropanamide
CID 56831806
4-[5-hydroxypentyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 107198553
2-(carbamoylamino)-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107202680
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
N-(5-hydroxypentyl)-N-methyl-2-propylpentanamide
CID 107202800
3-amino-N-(5-hydroxypentyl)-N,2-dimethyl-3-phenylpropanamide
CID 107199250
5-hydroxypentyl(methyl)carbamic acid
CID 90197062
2-amino-N-(5-hydroxypentyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 107199354
2-amino-N-(3,3-dimethylbutyl)-N-methylpropanamide
CID 115152544
[2-aminopropanoyl(methyl)amino]methylboronic acid
CID 76529003
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
N-(5-hydroxypentyl)-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 107202215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide?
The IUPAC name of (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide (CID 107199234) is (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide is C[C@H](N)C(=O)N(C)CCCCCO.
What is the InChIKey of (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide?
The InChIKey is UPZTZRUCHCWGDB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-8(10)9(13)11(2)6-4-3-5-7-12/h8,12H,3-7,10H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide?
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide has a molecular weight of 188.27 g/mol, XLogP of -0.05, 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-(5-hydroxypentyl)-N-methylpropanamide is sourced from PubChem (CID 107199234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).