1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid

C13H24N2O3 — CID 113363228

IUPAC1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-5-6-10(4-2)9-14-12(18)15-13(7-8-13)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZVBCKHVYGUASPN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds8

About 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 113363228) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID113363228
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESCCCCC(CC)CNC(=O)NC1(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-5-6-10(4-2)9-14-12(18)15-13(7-8-13)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyZVBCKHVYGUASPN-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 103941259
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
1-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 102907182
2-(2-ethylhexylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 107817457
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
1-(2,3,3-trimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 83144099
1-[(2R)-2-ethylhexyl]-3-prop-2-ynylurea
CID 97027505
2-[[2-(2-ethylhexylcarbamoylamino)acetyl]amino]acetic acid
CID 107817392
3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 107817453

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 113363228) is 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid is CCCCC(CC)CNC(=O)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is ZVBCKHVYGUASPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-5-6-10(4-2)9-14-12(18)15-13(7-8-13)11(16)17/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113363228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).