3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

C14H26N2O4 — CID 61452624

IUPAC3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)16(8-7-12(17)18)13(19)15(9-10-20-4)11-5-6-11/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyZYWDGDNQLYXEDY-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.79
Rot. Bonds7

About 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid

3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 61452624) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
PubChem CID61452624
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CC1
InChIInChI=1S/C14H26N2O4/c1-14(2,3)16(8-7-12(17)18)13(19)15(9-10-20-4)11-5-6-11/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyZYWDGDNQLYXEDY-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[tert-butyl-[2-methoxyethyl(methyl)carbamoyl]amino]propanoic acid
CID 61428085
3-[tert-butyl-[cyclopropyl(cyclopropylmethyl)carbamoyl]amino]propanoic acid
CID 64522773
3-[[cyclopropyl(2-methoxyethyl)carbamoyl]-propan-2-ylamino]propanoic acid
CID 61452623
2-[carboxymethyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 63645629
6-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-4,4-dimethylhexanoic acid
CID 65287692
5-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61452865
3-[tert-butyl-[cyclopentyl(methyl)carbamoyl]amino]propanoic acid
CID 61194347
2-[cyclopropyl(2-methoxyethyl)amino]-2-oxoacetic acid
CID 61455785
2-[tert-butyl-[cyclopropyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 79256922
3-[cyclopropyl-(2-methoxy-2-methylpropanoyl)amino]propanoic acid
CID 103018270
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid (CID 61452624) is 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is COCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1CC1.
What is the InChIKey of 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZYWDGDNQLYXEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-14(2,3)16(8-7-12(17)18)13(19)15(9-10-20-4)11-5-6-11/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61452624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).