methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate

C12H21NO3 — CID 43404380

IUPACmethyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CC1C
InChIInChI=1S/C12H21NO3/c1-7(2)5-10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyUJMVLPMJAVZYRG-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds5

About methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate

methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate (PubChem CID 43404380) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
PubChem CID43404380
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Namemethyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)C1CC1C
InChIInChI=1S/C12H21NO3/c1-7(2)5-10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14)
InChIKeyUJMVLPMJAVZYRG-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[[(3S,4S)-4-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-3-carbonyl]amino]-4-methylpentanoate
CID 135210896
methyl 4-methyl-2-[(2-phenylcyclopropanecarbonyl)amino]pentanoate
CID 78971251
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645
methyl (2S)-2-[[(1S,2R,3S,4R)-3-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carbonyl]amino]-4-methylpentanoate
CID 100916146
methyl 3-methyl-2-[(2-methylcyclopropanecarbonyl)amino]butanoate
CID 43422631
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
methyl (2S)-2-(methoxycarbonylamino)-4-methylpentanoate
CID 14036587
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
methyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-4-methylpentanoate
CID 2166224

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate (CID 43404380) is methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)C1CC1C.
What is the InChIKey of methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate?
The InChIKey is UJMVLPMJAVZYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(2)5-10(12(15)16-4)13-11(14)9-6-8(9)3/h7-10H,5-6H2,1-4H3,(H,13,14).
What are the key properties of methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate?
methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate has a molecular weight of 227.30 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methylcyclopropanecarbonyl)amino]pentanoate is sourced from PubChem (CID 43404380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).