methyl 2-anilinopentanoate

C12H17NO2 — CID 60992581

IUPACmethyl 2-anilinopentanoate
SMILESCCCC(Nc1ccccc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-7-11(12(14)15-2)13-10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKeyNIVGPOWYMSLRLN-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-anilinopentanoate

methyl 2-anilinopentanoate (PubChem CID 60992581) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is methyl 2-anilinopentanoate.

Molecular Properties

Compound Namemethyl 2-anilinopentanoate
PubChem CID60992581
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Namemethyl 2-anilinopentanoate
SMILESCCCC(Nc1ccccc1)C(=O)OC
InChIInChI=1S/C12H17NO2/c1-3-7-11(12(14)15-2)13-10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3
InChIKeyNIVGPOWYMSLRLN-UHFFFAOYSA-N
XLogP2.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-anilinooctanoate
CID 54889679
methyl (2R)-2-anilinobutanoate
CID 51891380
(2S)-2-anilinopentanoic acid
CID 22847649
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
4-anilino-5-ethoxy-5-oxopentanoic acid
CID 70498709
diethyl 2-anilinopentanedioate
CID 138963632
ethyl (2R)-2-anilinotridecanoate
CID 155931058
ethyl (2S)-2-anilino-4-(diethylamino)butanoate
CID 125470066
methyl 2-(4-fluoroanilino)hexanoate
CID 61353749
methyl 2-(4-fluoroanilino)-4-phenylbutanoate
CID 62881970
ethyl 3-anilinohexanoate
CID 10354056
(2R)-2-(4-methoxyanilino)pentanoic acid
CID 11085419

Frequently Asked Questions

What is the IUPAC name of methyl 2-anilinopentanoate?
The IUPAC name of methyl 2-anilinopentanoate (CID 60992581) is methyl 2-anilinopentanoate.
What is the SMILES notation for methyl 2-anilinopentanoate?
The canonical SMILES for methyl 2-anilinopentanoate is CCCC(Nc1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-anilinopentanoate?
The InChIKey is NIVGPOWYMSLRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-7-11(12(14)15-2)13-10-8-5-4-6-9-10/h4-6,8-9,11,13H,3,7H2,1-2H3.
What are the key properties of methyl 2-anilinopentanoate?
methyl 2-anilinopentanoate has a molecular weight of 207.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilinopentanoate is sourced from PubChem (CID 60992581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).