methyl 2-(cyclopropylmethylamino)-3-methylpentanoate

C11H21NO2 — CID 43732464

IUPACmethyl 2-(cyclopropylmethylamino)-3-methylpentanoate
SMILESCCC(C)C(NCC1CC1)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-8(2)10(11(13)14-3)12-7-9-5-6-9/h8-10,12H,4-7H2,1-3H3
InChIKeyNYXZJUDBKPZPHP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds6

About methyl 2-(cyclopropylmethylamino)-3-methylpentanoate

methyl 2-(cyclopropylmethylamino)-3-methylpentanoate (PubChem CID 43732464) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-(cyclopropylmethylamino)-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylmethylamino)-3-methylpentanoate
PubChem CID43732464
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-(cyclopropylmethylamino)-3-methylpentanoate
SMILESCCC(C)C(NCC1CC1)C(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-8(2)10(11(13)14-3)12-7-9-5-6-9/h8-10,12H,4-7H2,1-3H3
InChIKeyNYXZJUDBKPZPHP-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl N-acetyl-L-leucinate
CID 6950952
Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride
CID 85609281
(2S,3S)-2-[(1-carboxyethyl)amino]-3-methylpentanoic acid
CID 146171344
DL-Leucine, N-acetyl-, methyl ester
CID 559809
AC-Ile-ome
CID 7021425
Methyl (2R)-2-acetamido-4-methylpentanoate
CID 13220699
Methyl 1-(cyclopropylamino)cyclobutane-1-carboxylate
CID 62389449
tert-butyl (2S,3S)-3-methyl-2-(methylamino)pentanoate hydrochloride
CID 165997288
methyl (2S)-2-acetamido-3-methylpentanoate
CID 14383448
methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate
CID 7015051
methyl (2S)-4-methyl-2-(methylamino)pentanoate
CID 10921446
(2S,3S)-Methyl 3-ethylpyrrolidine-2-carboxylate
CID 11116310

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylmethylamino)-3-methylpentanoate?
The IUPAC name of methyl 2-(cyclopropylmethylamino)-3-methylpentanoate (CID 43732464) is methyl 2-(cyclopropylmethylamino)-3-methylpentanoate.
What is the SMILES notation for methyl 2-(cyclopropylmethylamino)-3-methylpentanoate?
The canonical SMILES for methyl 2-(cyclopropylmethylamino)-3-methylpentanoate is CCC(C)C(NCC1CC1)C(=O)OC.
What is the InChIKey of methyl 2-(cyclopropylmethylamino)-3-methylpentanoate?
The InChIKey is NYXZJUDBKPZPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-8(2)10(11(13)14-3)12-7-9-5-6-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylmethylamino)-3-methylpentanoate?
methyl 2-(cyclopropylmethylamino)-3-methylpentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylmethylamino)-3-methylpentanoate is sourced from PubChem (CID 43732464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).