benzyl(cyclopropylmethyl)carbamic acid

C12H15NO2 — CID 68617171

IUPACbenzyl(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C12H15NO2/c14-12(15)13(9-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKeyPILOIXFFRXEZRT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.58
Rot. Bonds4

About benzyl(cyclopropylmethyl)carbamic acid

benzyl(cyclopropylmethyl)carbamic acid (PubChem CID 68617171) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is benzyl(cyclopropylmethyl)carbamic acid.

Molecular Properties

Compound Namebenzyl(cyclopropylmethyl)carbamic acid
PubChem CID68617171
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namebenzyl(cyclopropylmethyl)carbamic acid
SMILESO=C(O)N(Cc1ccccc1)CC1CC1
InChIInChI=1S/C12H15NO2/c14-12(15)13(9-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15)
InChIKeyPILOIXFFRXEZRT-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-benzyl-2-chloro-N-(cyclobutylmethyl)acetamide
CID 166403801
benzyl-[[(3R)-piperidin-3-yl]methyl]carbamic acid;hydrochloride
CID 67098710
2-[benzyl(cyclobutylmethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975549
benzyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658752
benzyl-[[(2R)-pyrrolidin-2-yl]methyl]carbamic acid
CID 66658800
[4-chloro-3-(hydroxymethyl)phenyl]methyl-(cyclopropylmethyl)carbamic acid
CID 140558956
(2S)-2-amino-N-benzyl-N-(cyclobutylmethyl)propanamide;hydrochloride
CID 119305505
4-[[benzoyl(cyclopropylmethyl)amino]methyl]-N-hydroxybenzamide
CID 177250979
1,3-benzothiazol-2-ylmethyl(cyclopropylmethyl)carbamic acid
CID 89478773
N,N-dibenzyl-2-cyclopentylacetamide
CID 112760283
5-[benzyl(cyclobutylmethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685289

Frequently Asked Questions

What is the IUPAC name of benzyl(cyclopropylmethyl)carbamic acid?
The IUPAC name of benzyl(cyclopropylmethyl)carbamic acid (CID 68617171) is benzyl(cyclopropylmethyl)carbamic acid.
What is the SMILES notation for benzyl(cyclopropylmethyl)carbamic acid?
The canonical SMILES for benzyl(cyclopropylmethyl)carbamic acid is O=C(O)N(Cc1ccccc1)CC1CC1.
What is the InChIKey of benzyl(cyclopropylmethyl)carbamic acid?
The InChIKey is PILOIXFFRXEZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-12(15)13(9-11-6-7-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,15).
What are the key properties of benzyl(cyclopropylmethyl)carbamic acid?
benzyl(cyclopropylmethyl)carbamic acid has a molecular weight of 205.26 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(cyclopropylmethyl)carbamic acid is sourced from PubChem (CID 68617171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).