3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid

C14H26N2O3 — CID 61194347

IUPAC3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(10-9-12(17)18)13(19)15(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyUNZPVIKZQUDFTE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds4

About 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid (PubChem CID 61194347) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
PubChem CID61194347
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCC1
InChIInChI=1S/C14H26N2O3/c1-14(2,3)16(10-9-12(17)18)13(19)15(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyUNZPVIKZQUDFTE-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]acetic acid
CID 79256990
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
3-[tert-butyl-[cyclobutylmethyl(ethyl)carbamoyl]amino]propanoic acid
CID 107400040
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 61452624
4-[cyclobutyl(methyl)amino]-4-oxobutanoic acid
CID 115909710
3-[methyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]propanoic acid
CID 61439567
3-[tert-butyl-[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]propanoic acid
CID 113426183
3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 61428085
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-(2-hydroxyethyl)amino]propanoic acid
CID 82327378

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid (CID 61194347) is 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid is CN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CCCC1.
What is the InChIKey of 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid?
The InChIKey is UNZPVIKZQUDFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)16(10-9-12(17)18)13(19)15(4)11-7-5-6-8-11/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61194347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).