1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C14H26N2O3 — CID 115451466

IUPAC1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCCN(C(=O)NCC1(C(=O)O)CC1)C(C)CC
InChIInChI=1S/C14H26N2O3/c1-4-6-9-16(11(3)5-2)13(19)15-10-14(7-8-14)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJZWQDSBJGIFFJC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds8

About 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451466) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451466
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCCCN(C(=O)NCC1(C(=O)O)CC1)C(C)CC
InChIInChI=1S/C14H26N2O3/c1-4-6-9-16(11(3)5-2)13(19)15-10-14(7-8-14)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJZWQDSBJGIFFJC-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[[pentyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434197
1-[[[propan-2-yl(propyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444699
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
(2S)-3-[[butan-2-yl(butyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839256
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[butan-2-yl(methyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436713
1-[[[butyl(cyclopropyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434120
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
1-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
1-[(octan-2-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451389

Frequently Asked Questions

What is the IUPAC name of 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451466) is 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CCCCN(C(=O)NCC1(C(=O)O)CC1)C(C)CC.
What is the InChIKey of 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is JZWQDSBJGIFFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-9-16(11(3)5-2)13(19)15-10-14(7-8-14)12(17)18/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[butan-2-yl(butyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).