1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

C10H17NO4 — CID 14358262

IUPAC1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11(4)10(5-6-10)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKeySGWWJFJPLPQMBP-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.47
Rot. Bonds2

About 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid

1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 14358262) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
PubChem CID14358262
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11(4)10(5-6-10)7(12)13/h5-6H2,1-4H3,(H,12,13)
InChIKeySGWWJFJPLPQMBP-UHFFFAOYSA-N
XLogP1.47
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Tert-butoxy)carbonyl](methyl)amino}-2-methylpropanoic acid
CID 2734752
(2S)-2-(((1,1-Dimethylethoxy)carbonyl)methylamino)butanoic acid
CID 15689337
2-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}acetic acid
CID 22476118
2-(((Tert-butoxy)carbonyl)(cyclopropyl)amino)propanoic acid
CID 22928380
(2R)-2-(((tert-butoxy)carbonyl)(methyl)amino)butanoic acid
CID 58615437
2-{[(Tert-butoxy)carbonyl](propyl)amino}propanoic acid
CID 64145887
2,2-Dimethyl-1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid
CID 69125393
Boc-N-methyl-L-valine
CID 7010608
Boc-N-Me-Dl-Val-Oh
CID 4003029
Methyl 1-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
CID 10332021
3-Fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
CID 84727077
1-{[(Tert-butoxy)carbonyl](methyl)amino}-2,2-difluorocyclopropane-1-carboxylic acid
CID 167716231

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid (CID 14358262) is 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is CN(C(=O)OC(C)(C)C)C1(C(=O)O)CC1.
What is the InChIKey of 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is SGWWJFJPLPQMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11(4)10(5-6-10)7(12)13/h5-6H2,1-4H3,(H,12,13).
What are the key properties of 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid?
1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 14358262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).