2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid

C9H17N3O3 — CID 61402734

IUPAC2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)NCCN)(C(=O)O)C1CC1
InChIInChI=1S/C9H17N3O3/c1-9(7(13)14,6-2-3-6)12-8(15)11-5-4-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyAPFLLZCQZVLEKI-UHFFFAOYSA-N
MW215.25 g/mol
LogP-0.50
Rot. Bonds5

About 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid

2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid (PubChem CID 61402734) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
PubChem CID61402734
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid
SMILESCC(NC(=O)NCCN)(C(=O)O)C1CC1
InChIInChI=1S/C9H17N3O3/c1-9(7(13)14,6-2-3-6)12-8(15)11-5-4-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyAPFLLZCQZVLEKI-UHFFFAOYSA-N
XLogP-0.50
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(3-methylbutylcarbamoylamino)propanoic acid
CID 16794049
2-cyclopropyl-2-[2-[di(propan-2-yl)amino]ethylcarbamoylamino]propanoic acid
CID 61183248
2-cyclopropyl-2-(5,5,5-trifluoropentylcarbamoylamino)propanoic acid
CID 115521493
2-cyclopropyl-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]propanoic acid
CID 103995660
2-cyclopropyl-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 24708312
2-(2-butoxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 61482880
2-(2-cyclopentyloxyethylcarbamoylamino)-2-cyclopropylpropanoic acid
CID 63832113
2-cyclopropyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 103994420
2-(4-aminobutanoylamino)-2-cyclopropylpropanoic acid
CID 61159841
2-cyclopropyl-2-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]propanoic acid
CID 16786947
2-cyclopropyl-2-[3-(oxolan-2-yl)propylcarbamoylamino]propanoic acid
CID 65159046
2-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoylamino]propanoic acid
CID 64532353

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The IUPAC name of 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid (CID 61402734) is 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid is CC(NC(=O)NCCN)(C(=O)O)C1CC1.
What is the InChIKey of 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid?
The InChIKey is APFLLZCQZVLEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(7(13)14,6-2-3-6)12-8(15)11-5-4-10/h6H,2-5,10H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid?
2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylcarbamoylamino)-2-cyclopropylpropanoic acid is sourced from PubChem (CID 61402734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).