[(2R)-2-formamido-4-methylpentyl] acetate

C9H17NO3 — CID 45103886

IUPAC[(2R)-2-formamido-4-methylpentyl] acetate
SMILESCC(=O)OC[C@@H](CC(C)C)NC=O
InChIInChI=1S/C9H17NO3/c1-7(2)4-9(10-6-11)5-13-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t9-/m1/s1
InChIKeyLBCZJGZUVCKGIF-SECBINFHSA-N
MW187.24 g/mol
LogP0.71
Rot. Bonds6

About [(2R)-2-formamido-4-methylpentyl] acetate

[(2R)-2-formamido-4-methylpentyl] acetate (PubChem CID 45103886) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is [(2R)-2-formamido-4-methylpentyl] acetate.

Molecular Properties

Compound Name[(2R)-2-formamido-4-methylpentyl] acetate
PubChem CID45103886
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name[(2R)-2-formamido-4-methylpentyl] acetate
SMILESCC(=O)OC[C@@H](CC(C)C)NC=O
InChIInChI=1S/C9H17NO3/c1-7(2)4-9(10-6-11)5-13-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t9-/m1/s1
InChIKeyLBCZJGZUVCKGIF-SECBINFHSA-N
XLogP0.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-formamido-5-methylhexanoic acid
CID 83618480
2-methylpropyl acetate;hydrate
CID 86585368
ethyl (2S)-2-formamido-4-methylpentanoate
CID 54441995
(5-acetyloxy-2,4-dimethylpentyl) acetate
CID 22951898
[(2R,4R)-5-acetyloxy-2,4-dimethylpentyl] acetate
CID 10680239
dichloromethane;2-methylpropyl acetate
CID 174845885
(2-cyano-4-methylpentyl) acetate
CID 536906
methyl 3-acetyloxy-2-iodopropanoate
CID 86690416
2,5-dimethylhexyl acetate
CID 90020662
2-(ethylamino)butyl acetate
CID 171564336
2-hydroxypropyl acetate;mercury
CID 174858394
2-chloropropyl acetate
CID 527885

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-formamido-4-methylpentyl] acetate?
The IUPAC name of [(2R)-2-formamido-4-methylpentyl] acetate (CID 45103886) is [(2R)-2-formamido-4-methylpentyl] acetate.
What is the SMILES notation for [(2R)-2-formamido-4-methylpentyl] acetate?
The canonical SMILES for [(2R)-2-formamido-4-methylpentyl] acetate is CC(=O)OC[C@@H](CC(C)C)NC=O.
What is the InChIKey of [(2R)-2-formamido-4-methylpentyl] acetate?
The InChIKey is LBCZJGZUVCKGIF-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(2)4-9(10-6-11)5-13-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,11)/t9-/m1/s1.
What are the key properties of [(2R)-2-formamido-4-methylpentyl] acetate?
[(2R)-2-formamido-4-methylpentyl] acetate has a molecular weight of 187.24 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-formamido-4-methylpentyl] acetate is sourced from PubChem (CID 45103886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).