tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate

C10H18N2O4 — CID 130004007

IUPACtert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CC1CO
InChIInChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-10(7(11)14)4-6(10)5-13/h6,13H,4-5H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyWHBYZWZNHQTXHX-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.25
Rot. Bonds3

About tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate

tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate (PubChem CID 130004007) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
PubChem CID130004007
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nametert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(N)=O)CC1CO
InChIInChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-10(7(11)14)4-6(10)5-13/h6,13H,4-5H2,1-3H3,(H2,11,14)(H,12,15)
InChIKeyWHBYZWZNHQTXHX-UHFFFAOYSA-N
XLogP-0.25
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-methyl (1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 10988547
2-(2-hydroxyethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 67030541
tert-butyl N-[(1R,2S)-1-acetyl-2-ethylcyclopropyl]carbamate
CID 59044921
methyl (1S)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 59963702
tert-butyl N-[[(1R,2S)-2-(hydroxymethyl)-1-methylcyclopropyl]methyl]carbamate
CID 121388239
methyl (2S)-2-[[(1S,2R)-2-(hydroxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropanecarbonyl]amino]-3-phenylpropanoate
CID 15342592
tert-butyl N-[(1R,2R)-1-carbamoyl-2-methylcyclohexyl]carbamate
CID 95903186
tert-butyl N-(1-carbamoyl-2-methylcyclohexyl)carbamate
CID 86778100
ethyl (2R,3R,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 11044328
tert-butyl N-[1-carbamoyl-2-(pyrrolidine-1-carbonyl)cyclopropyl]carbamate
CID 168919712
ethyl (2R,3S,5S)-5-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[2.2]pentane-2-carboxylate
CID 10924119
2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid;methyl 2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylate
CID 158428152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate (CID 130004007) is tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(N)=O)CC1CO.
What is the InChIKey of tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate?
The InChIKey is WHBYZWZNHQTXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-9(2,3)16-8(15)12-10(7(11)14)4-6(10)5-13/h6,13H,4-5H2,1-3H3,(H2,11,14)(H,12,15).
What are the key properties of tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate?
tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-carbamoyl-2-(hydroxymethyl)cyclopropyl]carbamate is sourced from PubChem (CID 130004007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).