(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide

C9H20N2O3 — CID 107569812

IUPAC(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(O)COC
InChIInChI=1S/C9H20N2O3/c1-3-4-8(10)9(13)11-5-7(12)6-14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyYFZMXNMMJNKDHA-MQWKRIRWSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds7

About (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide

(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide (PubChem CID 107569812) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
PubChem CID107569812
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(O)COC
InChIInChI=1S/C9H20N2O3/c1-3-4-8(10)9(13)11-5-7(12)6-14-2/h7-8,12H,3-6,10H2,1-2H3,(H,11,13)/t7?,8-/m0/s1
InChIKeyYFZMXNMMJNKDHA-MQWKRIRWSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-hydroxy-4-methoxybutyl)hexanamide
CID 103951121
2-amino-N-(2,2-dimethoxyethyl)pentanamide
CID 61274915
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
CID 79012762
3-[[(2R)-2-aminopentanoyl]amino]-2-methoxypropanoic acid
CID 106108985
2-amino-N-propylpentanamide
CID 43649977
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
2-amino-N-[3-(2,3-dichlorophenoxy)-2-hydroxypropyl]pentanamide
CID 119305104
(2S)-2-amino-N-(2-hydroxypentyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119323572
2-amino-N-(2-methoxy-3,3-dimethylbutyl)pentanamide;hydrochloride
CID 119341481
2-[[(2-amino-5-methoxypentanoyl)amino]methyl]pentanoic acid
CID 81101109
2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
(2S)-2-amino-N-(2-ethoxyethyl)pentanamide
CID 107568294

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide (CID 107569812) is (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide is CCC[C@H](N)C(=O)NCC(O)COC.
What is the InChIKey of (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The InChIKey is YFZMXNMMJNKDHA-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-3-4-8(10)9(13)11-5-7(12)6-14-2/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-hydroxy-3-methoxypropyl)pentanamide?
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide is sourced from PubChem (CID 107569812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).