methyl 2-methyl-4-(propan-2-ylamino)pentanoate

C10H21NO2 — CID 104646065

IUPACmethyl 2-methyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NC(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h7-9,11H,6H2,1-5H3
InChIKeyDXNNQURGBOYCLD-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.57
Rot. Bonds5

About methyl 2-methyl-4-(propan-2-ylamino)pentanoate

methyl 2-methyl-4-(propan-2-ylamino)pentanoate (PubChem CID 104646065) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 2-methyl-4-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(propan-2-ylamino)pentanoate
PubChem CID104646065
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 2-methyl-4-(propan-2-ylamino)pentanoate
SMILESCOC(=O)C(C)CC(C)NC(C)C
InChIInChI=1S/C10H21NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h7-9,11H,6H2,1-5H3
InChIKeyDXNNQURGBOYCLD-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl 4-methyl-2-(propan-2-ylamino)pentanoate
CID 43230583
CID 58391087
CID 58391087
methyl 4-amino-2-methyl-4-phosphanylbutanoate
CID 134574134
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
methyl (2S)-2-(4-methylpentan-2-ylamino)propanoate
CID 43723692
dimethyl (2R,4S)-2-ethyl-4-methylpentanedioate
CID 101071261
methyl 6-hydroxy-2,4-dimethylheptanoate
CID 85176475
methyl 2-(4-methylhexan-2-ylamino)butanoate
CID 115353461

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(propan-2-ylamino)pentanoate?
The IUPAC name of methyl 2-methyl-4-(propan-2-ylamino)pentanoate (CID 104646065) is methyl 2-methyl-4-(propan-2-ylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-4-(propan-2-ylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-4-(propan-2-ylamino)pentanoate is COC(=O)C(C)CC(C)NC(C)C.
What is the InChIKey of methyl 2-methyl-4-(propan-2-ylamino)pentanoate?
The InChIKey is DXNNQURGBOYCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-7(2)11-9(4)6-8(3)10(12)13-5/h7-9,11H,6H2,1-5H3.
What are the key properties of methyl 2-methyl-4-(propan-2-ylamino)pentanoate?
methyl 2-methyl-4-(propan-2-ylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 104646065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).