(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide

C10H22N2O2 — CID 64549101

IUPAC(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
SMILESCCC(C)(CO)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(4,6-13)12-9(14)8(11)7(2)3/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-,10?/m0/s1
InChIKeySCQMZYAQRIQPSY-PEHGTWAWSA-N
MW202.30 g/mol
LogP0.25
Rot. Bonds5

About (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide

(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide (PubChem CID 64549101) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
PubChem CID64549101
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
SMILESCCC(C)(CO)NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C10H22N2O2/c1-5-10(4,6-13)12-9(14)8(11)7(2)3/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-,10?/m0/s1
InChIKeySCQMZYAQRIQPSY-PEHGTWAWSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
2-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylbutanamide
CID 107852750
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
N-(1-hydroxy-2-methylbutan-2-yl)-2-methylsulfonylpropanamide
CID 115776855
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
(2R)-2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-3-methylbutanamide
CID 79013078
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
propan-2-yl N-(1-hydroxy-2-methylbutan-2-yl)carbamate
CID 64557205
(2R)-2-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylbutanamide
CID 105058270
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methyl-2-sulfanylbutanamide
CID 107033569
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
CID 106328381

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide (CID 64549101) is (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide is CCC(C)(CO)NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide?
The InChIKey is SCQMZYAQRIQPSY-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-10(4,6-13)12-9(14)8(11)7(2)3/h7-8,13H,5-6,11H2,1-4H3,(H,12,14)/t8-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide?
(2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide has a molecular weight of 202.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide is sourced from PubChem (CID 64549101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).