methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate

C15H28N2O4 — CID 104578291

IUPACmethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
SMILESCCC(NC(CNC(=O)OC(C)(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-6-11(13(18)20-5)17-12(10-7-8-10)9-16-14(19)21-15(2,3)4/h10-12,17H,6-9H2,1-5H3,(H,16,19)
InChIKeyBVRPLOUUOKWTAD-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.83
Rot. Bonds7

About methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate

methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate (PubChem CID 104578291) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
PubChem CID104578291
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate
SMILESCCC(NC(CNC(=O)OC(C)(C)C)C1CC1)C(=O)OC
InChIInChI=1S/C15H28N2O4/c1-6-11(13(18)20-5)17-12(10-7-8-10)9-16-14(19)21-15(2,3)4/h10-12,17H,6-9H2,1-5H3,(H,16,19)
InChIKeyBVRPLOUUOKWTAD-UHFFFAOYSA-N
XLogP1.83
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate with MolForge

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Related Compounds

methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]propanoate
CID 104578296
tert-butyl N-[2-(butan-2-ylamino)-2-cyclopropylethyl]carbamate
CID 103785747
tert-butyl N-[2-cyclohexyl-2-(pentan-3-ylamino)ethyl]carbamate
CID 107252504
tert-butyl N-[2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 67448024
tert-butyl N-[(2R)-2-cyclopropyl-2-(methylamino)ethyl]carbamate
CID 97300299
tert-butyl N-[2-cyclohexyl-2-(1-methoxybutan-2-ylamino)ethyl]carbamate
CID 103782984
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527
tert-butyl N-[2-cyclopropyl-2-[(4-ethylcyclohexyl)amino]ethyl]carbamate
CID 103699773
tert-butyl N-[2-cyclopentyl-2-(3,3-dimethylbutylamino)ethyl]carbamate
CID 107254500
tert-butyl N-[(2R)-2-cyclopropyl-2-(2-methylpent-2-enoylamino)ethyl]carbamate
CID 164636461
tert-butyl N-(3-amino-2-cyclopropylpropyl)carbamate
CID 84723673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate?
The IUPAC name of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate (CID 104578291) is methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate.
What is the SMILES notation for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate?
The canonical SMILES for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate is CCC(NC(CNC(=O)OC(C)(C)C)C1CC1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate?
The InChIKey is BVRPLOUUOKWTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-6-11(13(18)20-5)17-12(10-7-8-10)9-16-14(19)21-15(2,3)4/h10-12,17H,6-9H2,1-5H3,(H,16,19).
What are the key properties of methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate?
methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate has a molecular weight of 300.40 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]butanoate is sourced from PubChem (CID 104578291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).