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

C8H17NO2 — CID 172508434

IUPAC(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](C)O
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)9-8(11)7(4)10/h5-7,10H,1-4H3,(H,9,11)/t6-,7-/m0/s1
InChIKeySKDOHZYHHUBDDA-BQBZGAKWSA-N
MW159.23 g/mol
LogP0.53
Rot. Bonds3

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

(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide (PubChem CID 172508434) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide
PubChem CID172508434
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)[C@H](C)O
InChIInChI=1S/C8H17NO2/c1-5(2)6(3)9-8(11)7(4)10/h5-7,10H,1-4H3,(H,9,11)/t6-,7-/m0/s1
InChIKeySKDOHZYHHUBDDA-BQBZGAKWSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide (CID 172508434) is (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide is CC(C)[C@H](C)NC(=O)[C@H](C)O.
What is the InChIKey of (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide?
The InChIKey is SKDOHZYHHUBDDA-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)6(3)9-8(11)7(4)10/h5-7,10H,1-4H3,(H,9,11)/t6-,7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide?
(2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide has a molecular weight of 159.23 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]propanamide is sourced from PubChem (CID 172508434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).