trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid

C7H11NO4 — CID 84654598

IUPACtrans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
SMILESCOC(=O)N[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)8-5-3-2-4(5)6(9)10/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m1/s1
InChIKeyYAWOHBFUTMSQEH-RFZPGFLSSA-N
MW173.17 g/mol
LogP0.21
Rot. Bonds2

About trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid

trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid (PubChem CID 84654598) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
PubChem CID84654598
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nametrans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
SMILESCOC(=O)N[C@@H]1CC[C@H]1C(=O)O
InChIInChI=1S/C7H11NO4/c1-12-7(11)8-5-3-2-4(5)6(9)10/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m1/s1
InChIKeyYAWOHBFUTMSQEH-RFZPGFLSSA-N
XLogP0.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
(1R,4Z,8S)-8-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooct-4-ene-1-carboxylic acid
CID 17039484
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid (CID 84654598) is trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid is COC(=O)N[C@@H]1CC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid?
The InChIKey is YAWOHBFUTMSQEH-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H11NO4/c1-12-7(11)8-5-3-2-4(5)6(9)10/h4-5H,2-3H2,1H3,(H,8,11)(H,9,10)/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid?
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 84654598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).