3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

C11H19N3O4 — CID 61200800

IUPAC3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCCNC(=O)CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-2-12-9(15)7-13-11(18)14(8-3-4-8)6-5-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZBGMLINIMNHWDX-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds7

About 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid

3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (PubChem CID 61200800) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
PubChem CID61200800
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
SMILESCCNC(=O)CNC(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C11H19N3O4/c1-2-12-9(15)7-13-11(18)14(8-3-4-8)6-5-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17)
InChIKeyZBGMLINIMNHWDX-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(2,2-dimethylpropylcarbamoyl)amino]propanoic acid
CID 61209232
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
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CID 55628038
3-[cyclopropyl(5-methylhexylcarbamoyl)amino]propanoic acid
CID 113287750
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[cyclopropyl-[3-(methanesulfonamido)propylcarbamoyl]amino]propanoic acid
CID 106340311
2-[[piperidin-4-yl(propyl)carbamoyl]amino]acetic acid
CID 61408503
3-[cyclopropyl(dimethylcarbamoyl)amino]propanoic acid
CID 61196461
3-[cyclopropyl(methoxycarbonyl)amino]propanoic acid
CID 60828272
3-[cyclopropyl(2,2,3,3-tetrafluoropropylcarbamoyl)amino]propanoic acid
CID 106294879
2-(diethylcarbamoylamino)-N-ethylacetamide
CID 115583198
3-[[2-[[2-[[2-[[2-[[2-[[2-[[3-(ethylamino)-3-oxopropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 175713469

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid (CID 61200800) is 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is CCNC(=O)CNC(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
The InChIKey is ZBGMLINIMNHWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-2-12-9(15)7-13-11(18)14(8-3-4-8)6-5-10(16)17/h8H,2-7H2,1H3,(H,12,15)(H,13,18)(H,16,17).
What are the key properties of 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid?
3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 61200800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).