1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid

C15H27NO4 — CID 84813407

IUPAC1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)16(12(19)20-14(4,5)6)10-9-15(7-8-15)11(17)18/h7-10H2,1-6H3,(H,17,18)
InChIKeyNZZBVULVIKSMRY-UHFFFAOYSA-N
MW285.38 g/mol
LogP3.28
Rot. Bonds4

About 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid

1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid (PubChem CID 84813407) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
PubChem CID84813407
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C(C)(C)C
InChIInChI=1S/C15H27NO4/c1-13(2,3)16(12(19)20-14(4,5)6)10-9-15(7-8-15)11(17)18/h7-10H2,1-6H3,(H,17,18)
InChIKeyNZZBVULVIKSMRY-UHFFFAOYSA-N
XLogP3.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[cyclobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid
CID 84812701
tert-butyl N-tert-butyl-N-[2-[(4,4-dimethylcyclohexyl)amino]ethyl]carbamate
CID 107445694
tert-butyl N-tert-butyl-N-[2-(tert-butylamino)ethyl]carbamate
CID 107444428
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cyclopropane-1-carboxylic acid
CID 154533814
tert-butyl N-tert-butyl-N-[2-(cyclopropylmethylamino)ethyl]carbamate
CID 107444454
tert-butyl N-tert-butyl-N-[2-(methoxyamino)ethyl]carbamate
CID 107445980
tert-butyl N-tert-butyl-N-[2-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]carbamate
CID 107445830
4-(2-aminoethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 165495257
1-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]cyclopropane-1-carboxylic acid
CID 103439539
tert-butyl N-tert-butyl-N-[2-(3-ethylpentan-3-ylamino)ethyl]carbamate
CID 107445746
tert-butyl N-tert-butyl-N-(2-cyclopropyl-2-oxoethyl)carbamate
CID 165464888
tert-butyl N-tert-butyl-N-[2-[(3-methyloxetan-3-yl)methylamino]ethyl]carbamate
CID 107445850

Frequently Asked Questions

What is the IUPAC name of 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid (CID 84813407) is 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid is CC(C)(C)OC(=O)N(CCC1(C(=O)O)CC1)C(C)(C)C.
What is the InChIKey of 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is NZZBVULVIKSMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-13(2,3)16(12(19)20-14(4,5)6)10-9-15(7-8-15)11(17)18/h7-10H2,1-6H3,(H,17,18).
What are the key properties of 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid?
1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 285.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84813407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).