(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide

C9H17NO2 — CID 58071164

IUPAC(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
SMILESCC[C@H](C)C(CC(C)=O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-4-6(2)8(9(10)12)5-7(3)11/h6,8H,4-5H2,1-3H3,(H2,10,12)/t6-,8?/m0/s1
InChIKeyYCOJYTIOZJQSLM-UUEFVBAFSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds5

About (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide

(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide (PubChem CID 58071164) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
PubChem CID58071164
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
SMILESCC[C@H](C)C(CC(C)=O)C(N)=O
InChIInChI=1S/C9H17NO2/c1-4-6(2)8(9(10)12)5-7(3)11/h6,8H,4-5H2,1-3H3,(H2,10,12)/t6-,8?/m0/s1
InChIKeyYCOJYTIOZJQSLM-UUEFVBAFSA-N
XLogP1.11
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide?
The IUPAC name of (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide (CID 58071164) is (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide.
What is the SMILES notation for (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide?
The canonical SMILES for (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide is CC[C@H](C)C(CC(C)=O)C(N)=O.
What is the InChIKey of (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide?
The InChIKey is YCOJYTIOZJQSLM-UUEFVBAFSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6(2)8(9(10)12)5-7(3)11/h6,8H,4-5H2,1-3H3,(H2,10,12)/t6-,8?/m0/s1.
What are the key properties of (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide?
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide is sourced from PubChem (CID 58071164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).