2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid

C14H26N2O3 — CID 122083036

IUPAC2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)CN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-8-15(9-5-2)13(17)10-16(12-6-7-12)11(3)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyWSWSIXIROPNWLN-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.57
Rot. Bonds9

About 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid

2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 122083036) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID122083036
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid
SMILESCCCN(CCC)C(=O)CN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-8-15(9-5-2)13(17)10-16(12-6-7-12)11(3)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyWSWSIXIROPNWLN-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(propyl)amino]propanoic acid
CID 43270597
2-[[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083126
2-[cyclopropyl-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]-2-oxoethyl]amino]propanoic acid
CID 122100810
2-[cyclopropyl-[2-(4-ethoxyphenoxy)ethyl]amino]propanoic acid
CID 122083066
2-[cyclopropyl(3-phenylpropyl)amino]propanoic acid
CID 122083043
3-[[2-(dipropylamino)-2-oxoethyl]-propylamino]-2-methylpropanoic acid
CID 82327114
2-[cycloheptylmethyl(cyclopropyl)amino]propanoic acid
CID 122082922
2-[methyl-[4-(methylamino)cyclohexyl]amino]-N,N-dipropylacetamide
CID 79110170
2-[cyclopropyl-[2-oxo-2-[(3,4,5-trimethylthiophen-2-yl)amino]ethyl]amino]propanoic acid
CID 122100561
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-cyclopropylamino]propanoic acid
CID 122083047
2-[cyclopentyl(2-hydroxyethyl)amino]-N,N-dipropylacetamide
CID 62015247
2-[cyclopropyl-[2-hydroxyethyl(propyl)carbamoyl]amino]acetic acid
CID 54984147

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid (CID 122083036) is 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid is CCCN(CCC)C(=O)CN(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is WSWSIXIROPNWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-8-15(9-5-2)13(17)10-16(12-6-7-12)11(3)14(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid?
2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(dipropylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122083036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).