(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide

C9H20N2O3 — CID 79012762

IUPAC(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
SMILESCOCC(O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)8(10)9(13)11-4-7(12)5-14-3/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t7?,8-/m1/s1
InChIKeyLSHVBBWZBZKSNV-BRFYHDHCSA-N
MW204.27 g/mol
LogP-0.91
Rot. Bonds6

About (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide

(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide (PubChem CID 79012762) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
PubChem CID79012762
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide
SMILESCOCC(O)CNC(=O)[C@H](N)C(C)C
InChIInChI=1S/C9H20N2O3/c1-6(2)8(10)9(13)11-4-7(12)5-14-3/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t7?,8-/m1/s1
InChIKeyLSHVBBWZBZKSNV-BRFYHDHCSA-N
XLogP-0.91
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
4-[(2-hydroxy-3-methoxypropyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498512
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
N-(2-hydroxy-3-methoxypropyl)-2-propan-2-yloxyacetamide
CID 112703011
2-(azetidin-3-yl)-N-(2-hydroxy-3-methoxypropyl)propanamide
CID 116678033
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
CID 65036026
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
(2R)-2-(azepan-1-yl)-N-[(2R)-2-hydroxy-3-methoxypropyl]propanamide
CID 97236810

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide (CID 79012762) is (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide is COCC(O)CNC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide?
The InChIKey is LSHVBBWZBZKSNV-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(2)8(10)9(13)11-4-7(12)5-14-3/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide has a molecular weight of 204.27 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-hydroxy-3-methoxypropyl)-3-methylbutanamide is sourced from PubChem (CID 79012762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).