methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate

C13H25NO2 — CID 104646176

IUPACmethyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)C1CC1
InChIInChI=1S/C13H25NO2/c1-9(13(15)16-4)7-11(3)14-8-10(2)12-5-6-12/h9-12,14H,5-8H2,1-4H3
InChIKeyCTDBKKGBCVNQAW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.21
Rot. Bonds7

About methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate

methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate (PubChem CID 104646176) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
PubChem CID104646176
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
SMILESCOC(=O)C(C)CC(C)NCC(C)C1CC1
InChIInChI=1S/C13H25NO2/c1-9(13(15)16-4)7-11(3)14-8-10(2)12-5-6-12/h9-12,14H,5-8H2,1-4H3
InChIKeyCTDBKKGBCVNQAW-UHFFFAOYSA-N
XLogP2.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-4-(2-methylpropylamino)pentanoate
CID 104645979
3-(2-cyclopropylpropylamino)-N,N-dimethylbutanamide
CID 115713914
methyl 2-methyl-4-(propan-2-ylamino)pentanoate
CID 104646065
methyl 4-[(2-methoxy-2-methylpropyl)amino]-2-methylpentanoate
CID 104646437
methyl 4-(2-chloroprop-2-enylamino)-2-methylpentanoate
CID 104646630
methyl 4-[(1-hydroxycyclobutyl)methylamino]-2-methylpentanoate
CID 104646340
methyl 2-acetamido-3-(1-cyclopropylpropan-2-ylamino)propanoate
CID 103251173
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
methyl 2-methyl-4-(3-methylsulfanylpropylamino)pentanoate
CID 104646397
methyl 2-methyl-4-[[(E)-pent-3-enyl]amino]pentanoate
CID 104646363
methyl (2R)-3-(cycloheptylmethylamino)-2-methylpropanoate
CID 129354214
N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
CID 115713891

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate?
The IUPAC name of methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate (CID 104646176) is methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate.
What is the SMILES notation for methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate?
The canonical SMILES for methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate is COC(=O)C(C)CC(C)NCC(C)C1CC1.
What is the InChIKey of methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate?
The InChIKey is CTDBKKGBCVNQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-9(13(15)16-4)7-11(3)14-8-10(2)12-5-6-12/h9-12,14H,5-8H2,1-4H3.
What are the key properties of methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate?
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate has a molecular weight of 227.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate is sourced from PubChem (CID 104646176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).