3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid

C13H24N2O3 — CID 61429269

IUPAC3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
SMILESCC(C)CCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)6-8-14(3)13(18)15(11-4-5-11)9-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNCURFHUXTPLOKV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.02
Rot. Bonds7

About 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid

3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid (PubChem CID 61429269) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
PubChem CID61429269
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
SMILESCC(C)CCN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H24N2O3/c1-10(2)6-8-14(3)13(18)15(11-4-5-11)9-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17)
InChIKeyNCURFHUXTPLOKV-UHFFFAOYSA-N
XLogP2.02
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 54984189
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(3-methylbutyl)amino]propanoic acid
CID 60839527
3-[cyclopropyl-[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 61201390
3-[cyclopropyl-[2-methylpropyl(pentan-3-yl)carbamoyl]amino]propanoic acid
CID 79490093
2-[carboxymethyl-[cyclopropyl(3-methylbutyl)carbamoyl]amino]acetic acid
CID 78947635
1-cyclopentyl-3-ethyl-3-methyl-1-(3-methylbutyl)urea
CID 116656765
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
CID 61455996
3-[cyclopropyl-[methyl(1-methylsulfanylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 112662932
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid (CID 61429269) is 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid is CC(C)CCN(C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid?
The InChIKey is NCURFHUXTPLOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(2)6-8-14(3)13(18)15(11-4-5-11)9-7-12(16)17/h10-11H,4-9H2,1-3H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61429269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).