[(2S)-2-acetamidopentyl] acetate

C9H17NO3 — CID 14619274

IUPAC[(2S)-2-acetamidopentyl] acetate
SMILESCCC[C@@H](COC(C)=O)NC(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(10-7(2)11)6-13-8(3)12/h9H,4-6H2,1-3H3,(H,10,11)/t9-/m0/s1
InChIKeyAZBMSNGQNRHHOX-VIFPVBQESA-N
MW187.24 g/mol
LogP0.85
Rot. Bonds5

About [(2S)-2-acetamidopentyl] acetate

[(2S)-2-acetamidopentyl] acetate (PubChem CID 14619274) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(2S)-2-acetamidopentyl] acetate.

Molecular Properties

Compound Name[(2S)-2-acetamidopentyl] acetate
PubChem CID14619274
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(2S)-2-acetamidopentyl] acetate
SMILESCCC[C@@H](COC(C)=O)NC(C)=O
InChIInChI=1S/C9H17NO3/c1-4-5-9(10-7(2)11)6-13-8(3)12/h9H,4-6H2,1-3H3,(H,10,11)/t9-/m0/s1
InChIKeyAZBMSNGQNRHHOX-VIFPVBQESA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-acetamidopentyl] acetate
CID 10442452
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
N-pentadecan-4-ylacetamide
CID 87419548
methyl 2-acetamido-3-acetyloxypropanoate
CID 538243
2-(ethylamino)butyl acetate
CID 171564336
[(2S,3S,4R)-2-acetamido-3,4-diacetyloxyhexyl] acetate
CID 101222451
ethyl N-(1-methoxypentan-2-yl)carbamate
CID 64590516
methyl N-(1-methoxypentan-2-yl)carbamate
CID 116656283
2-acetamidododecyl octadec-9-enoate
CID 54534222
N-[(2R)-1-methoxybutan-2-yl]acetamide
CID 118873564
2-acetamidopentanamide
CID 23273489
(2S)-2-amino-N-(1-methoxypentan-2-yl)butanamide
CID 79023147

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-acetamidopentyl] acetate?
The IUPAC name of [(2S)-2-acetamidopentyl] acetate (CID 14619274) is [(2S)-2-acetamidopentyl] acetate.
What is the SMILES notation for [(2S)-2-acetamidopentyl] acetate?
The canonical SMILES for [(2S)-2-acetamidopentyl] acetate is CCC[C@@H](COC(C)=O)NC(C)=O.
What is the InChIKey of [(2S)-2-acetamidopentyl] acetate?
The InChIKey is AZBMSNGQNRHHOX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-5-9(10-7(2)11)6-13-8(3)12/h9H,4-6H2,1-3H3,(H,10,11)/t9-/m0/s1.
What are the key properties of [(2S)-2-acetamidopentyl] acetate?
[(2S)-2-acetamidopentyl] acetate has a molecular weight of 187.24 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-acetamidopentyl] acetate is sourced from PubChem (CID 14619274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).