2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide

C9H20N2O2 — CID 65036026

IUPAC2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCC(CO)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(10)9(13)11-4-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyIQLFBANXBROHIZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.29
Rot. Bonds5

About 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide

2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide (PubChem CID 65036026) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
PubChem CID65036026
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide
SMILESCC(CO)CNC(=O)C(N)C(C)C
InChIInChI=1S/C9H20N2O2/c1-6(2)8(10)9(13)11-4-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13)
InChIKeyIQLFBANXBROHIZ-UHFFFAOYSA-N
XLogP-0.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxy-2-methylbutyl)-3-methylbutanamide
CID 66090902
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-methylbutanamide
CID 65440271
2-amino-3-methyl-N-(2-methylpropyl)butanamide
CID 19602466
(2R)-2-amino-3-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79013022
5-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-methylpentanoic acid
CID 82688347
2-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]-3-methylbutanoic acid
CID 79011963
(2S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-hydroxypropanoic acid
CID 107835890
N-(3-hydroxy-2-methylpropyl)-2-methoxypropanamide
CID 115701678
(2S)-2-amino-3-methyl-N-(2-methylsulfinylpropyl)butanamide
CID 103950937
4-amino-N-(3-hydroxy-2-methylpropyl)-2-methylbutanamide
CID 80544789
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618
(2S)-2-amino-N-[8-[[(2S)-2-amino-3-methylbutanoyl]amino]octyl]-3-methylbutanamide
CID 101248769

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide (CID 65036026) is 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide is CC(CO)CNC(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide?
The InChIKey is IQLFBANXBROHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-6(2)8(10)9(13)11-4-7(3)5-12/h6-8,12H,4-5,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide?
2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide has a molecular weight of 188.27 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-hydroxy-2-methylpropyl)-3-methylbutanamide is sourced from PubChem (CID 65036026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).