3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

C14H25N3O4 — CID 61455996

IUPAC3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O4/c1-4-16(5-2)12(18)10-15(3)14(21)17(11-6-7-11)9-8-13(19)20/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyWRUJKWHZKDIZDS-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.85
Rot. Bonds8

About 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid

3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (PubChem CID 61455996) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
PubChem CID61455996
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid
SMILESCCN(CC)C(=O)CN(C)C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C14H25N3O4/c1-4-16(5-2)12(18)10-15(3)14(21)17(11-6-7-11)9-8-13(19)20/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyWRUJKWHZKDIZDS-UHFFFAOYSA-N
XLogP0.85
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[[butyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 61185694
3-[cyclopropyl-[methyl(pentyl)carbamoyl]amino]propanoic acid
CID 61198345
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]-propan-2-ylamino]propanoic acid
CID 61455997
3-[cyclopropyl-[methyl(3-methylbutyl)carbamoyl]amino]propanoic acid
CID 61429269
4-[[cyclopropyl(ethyl)carbamoyl]-methylamino]butanoic acid
CID 43264449
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980
3-[cyclopropyl(hexanoyl)amino]propanoic acid
CID 60843685
3-[[2-cyanopropyl(ethyl)carbamoyl]-cyclopropylamino]propanoic acid
CID 54988632
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid (CID 61455996) is 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is CCN(CC)C(=O)CN(C)C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
The InChIKey is WRUJKWHZKDIZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-4-16(5-2)12(18)10-15(3)14(21)17(11-6-7-11)9-8-13(19)20/h11H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid?
3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 61455996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).