1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate

C9H17NO3 — CID 115451059

IUPAC1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOCC(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO3/c1-7(5-12-2)13-8(11)9(6-10)3-4-9/h7H,3-6,10H2,1-2H3
InChIKeyRSVGHMCZLSKHTL-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.30
Rot. Bonds5

About 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate

1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate (PubChem CID 115451059) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
PubChem CID115451059
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
SMILESCOCC(C)OC(=O)C1(CN)CC1
InChIInChI=1S/C9H17NO3/c1-7(5-12-2)13-8(11)9(6-10)3-4-9/h7H,3-6,10H2,1-2H3
InChIKeyRSVGHMCZLSKHTL-UHFFFAOYSA-N
XLogP0.30
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451019
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
octan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451042
pentan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 102982557
2-(2-methylpropoxy)ethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 106447956
1-methoxypropan-2-yl (2S)-3-amino-2-hydroxypropanoate
CID 107837627
3-methylbutan-2-yl 4-(aminomethyl)oxane-4-carboxylate
CID 115440262
octyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 115451044
2-[(2-methylpropan-2-yl)oxy]ethyl 1-(aminomethyl)cyclopropane-1-carboxylate
CID 112588020
1-methoxypropan-2-yl 2-sulfanylpropanoate
CID 91488591
2-(2-methoxyethoxy)ethyl 4-(aminomethyl)oxane-4-carboxylate
CID 104563587
1-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 80587473

Frequently Asked Questions

What is the IUPAC name of 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate (CID 115451059) is 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate is COCC(C)OC(=O)C1(CN)CC1.
What is the InChIKey of 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
The InChIKey is RSVGHMCZLSKHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7(5-12-2)13-8(11)9(6-10)3-4-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate?
1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypropan-2-yl 1-(aminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 115451059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).