(2S)-2-amino-N-(2-hydroxypropyl)hexanamide

C9H20N2O2 — CID 103950098

IUPAC(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)O
InChIInChI=1S/C9H20N2O2/c1-3-4-5-8(10)9(13)11-6-7(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyOCCFZUWDAJBAIQ-MQWKRIRWSA-N
MW188.27 g/mol
LogP0.00
Rot. Bonds6

About (2S)-2-amino-N-(2-hydroxypropyl)hexanamide

(2S)-2-amino-N-(2-hydroxypropyl)hexanamide (PubChem CID 103950098) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxypropyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
PubChem CID103950098
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name(2S)-2-amino-N-(2-hydroxypropyl)hexanamide
SMILESCCCC[C@H](N)C(=O)NCC(C)O
InChIInChI=1S/C9H20N2O2/c1-3-4-5-8(10)9(13)11-6-7(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyOCCFZUWDAJBAIQ-MQWKRIRWSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-3-methylbutyl)hexanamide
CID 103950758
2-amino-N-[2-(dimethylamino)propyl]hexanamide
CID 61043686
(2S)-2-amino-N-(4-hydroxy-2-methylbutyl)hexanamide
CID 107145862
(2S)-2-amino-N-[2-(2-methylpropanoylamino)ethyl]hexanamide
CID 103831039
(2S)-2-amino-N-butylhexanamide;hydrochloride
CID 86592163
5-(2-aminohexanoylamino)-4-methylpentanoic acid
CID 82689054
2-amino-N-hexylhexanamide
CID 60852762
(2R)-2-amino-N-[(2S)-2-hydroxypropyl]-4-methylsulfanylbutanamide
CID 96904293
(2S)-2-amino-N-(2,2-dicyclopropylethyl)hexanamide
CID 113304830
(2S)-2-amino-N-dodecylhexanamide;hydrochloride
CID 135364190
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxypropyl)hexanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxypropyl)hexanamide (CID 103950098) is (2S)-2-amino-N-(2-hydroxypropyl)hexanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxypropyl)hexanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxypropyl)hexanamide is CCCC[C@H](N)C(=O)NCC(C)O.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxypropyl)hexanamide?
The InChIKey is OCCFZUWDAJBAIQ-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-3-4-5-8(10)9(13)11-6-7(2)12/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-hydroxypropyl)hexanamide?
(2S)-2-amino-N-(2-hydroxypropyl)hexanamide has a molecular weight of 188.27 g/mol, XLogP of 0.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxypropyl)hexanamide is sourced from PubChem (CID 103950098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).