2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid

C13H24N2O3 — CID 62821983

IUPAC2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCCN(C(=O)N(CC)C(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-5-9-14(10-7-8-10)12(18)15(6-2)13(3,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyLTLWEIFRBKLCGN-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.17
Rot. Bonds6

About 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid

2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62821983) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62821983
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid
SMILESCCCN(C(=O)N(CC)C(C)(C)C(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-5-9-14(10-7-8-10)12(18)15(6-2)13(3,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17)
InChIKeyLTLWEIFRBKLCGN-UHFFFAOYSA-N
XLogP2.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62821662
2-[[[2-(dimethylamino)-2-oxoethyl]-propylcarbamoyl]-ethylamino]-2-methylpropanoic acid
CID 62820272
2-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 62978545
N-cyclopropyl-N-propylcarbamoyl bromide
CID 140982146
2-[ethyl-[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62820097
2-[cyclooctanecarbonyl(ethyl)amino]-2-methylpropanoic acid
CID 65019428
2-[ethyl-[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]-2-methylpropanoic acid
CID 63859529
2-[ethyl-[methyl(2-methylsulfonylethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 79864879
4-[cyclopropyl(propyl)amino]-4-oxobutanoic acid
CID 43270140
2-[2-[cyclopropyl(propyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569015
2-[ethyl-[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62822030
2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 79256922

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid (CID 62821983) is 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid is CCCN(C(=O)N(CC)C(C)(C)C(=O)O)C1CC1.
What is the InChIKey of 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is LTLWEIFRBKLCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-9-14(10-7-8-10)12(18)15(6-2)13(3,4)11(16)17/h10H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid?
2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl(propyl)carbamoyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62821983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).