N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide

C11H24N2O2 — CID 79249728

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(7-14)13-11(15)5-6-12-9(3)4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyNOFZPCQEMHQXAL-SNVBAGLBSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds7

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide (PubChem CID 79249728) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
PubChem CID79249728
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C11H24N2O2/c1-8(2)10(7-14)13-11(15)5-6-12-9(3)4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15)/t10-/m1/s1
InChIKeyNOFZPCQEMHQXAL-SNVBAGLBSA-N
XLogP0.51
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(tert-butylamino)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79248825
2-chloro-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79249423
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
4,4,4-trifluoro-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79252390
N-(1-hydroxy-3-methylbutan-2-yl)hexadecanamide
CID 21299171
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylsulfonylpropanamide
CID 79252567
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79252664
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)propanamide
CID 106161447
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
3-[3-(propan-2-ylamino)propanoylamino]butanoic acid
CID 61160431
7-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]heptanamide
CID 79250170
N-(2-hydroxyethyl)-3-(propan-2-ylamino)propanamide
CID 60853066

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide (CID 79249728) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide?
The InChIKey is NOFZPCQEMHQXAL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-8(2)10(7-14)13-11(15)5-6-12-9(3)4/h8-10,12,14H,5-7H2,1-4H3,(H,13,15)/t10-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 79249728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).