3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

C12H26N2O2 — CID 79248825

IUPAC3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)10(8-15)14-11(16)6-7-13-12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyCQAJXPQXDDNYDJ-SNVBAGLBSA-N
MW230.35 g/mol
LogP0.90
Rot. Bonds6

About 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide

3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (PubChem CID 79248825) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
PubChem CID79248825
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@@H](CO)NC(=O)CCNC(C)(C)C
InChIInChI=1S/C12H26N2O2/c1-9(2)10(8-15)14-11(16)6-7-13-12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1
InChIKeyCQAJXPQXDDNYDJ-SNVBAGLBSA-N
XLogP0.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
CID 79249728
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
2-[3-(tert-butylamino)propanoylamino]-3-methylbutanamide
CID 106345043
2-[3-(tert-butylamino)propanoylamino]-3,3-dimethylbutanoic acid
CID 61161778
2-[3-(tert-butylamino)propanoylamino]propanamide
CID 60850067
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
6-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4,4-dimethylhexanamide
CID 79250281
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
CID 79252567

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide (CID 79248825) is 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is CC(C)[C@@H](CO)NC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
The InChIKey is CQAJXPQXDDNYDJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-9(2)10(8-15)14-11(16)6-7-13-12(3,4)5/h9-10,13,15H,6-8H2,1-5H3,(H,14,16)/t10-/m1/s1.
What are the key properties of 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide?
3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide has a molecular weight of 230.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 79248825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).