3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid

C13H24N2O3 — CID 79350601

IUPAC3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H24N2O3/c1-6-15(8-7-9(16)17)11(18)14-10-12(2,3)13(10,4)5/h10H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyOSTQNQDCFSEHPG-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds5

About 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid

3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid (PubChem CID 79350601) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid
PubChem CID79350601
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H24N2O3/c1-6-15(8-7-9(16)17)11(18)14-10-12(2,3)13(10,4)5/h10H,6-8H2,1-5H3,(H,14,18)(H,16,17)
InChIKeyOSTQNQDCFSEHPG-UHFFFAOYSA-N
XLogP1.93
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[prop-2-ynyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]acetic acid
CID 79350944
3-[ethyl(propylcarbamoyl)amino]propanoic acid
CID 61007804
3-[ethyl-[(2-methyloxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82727894
3-[(1,1-dioxothiolan-3-yl)carbamoyl-ethylamino]propanoic acid
CID 61183235
3-[ethyl-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]amino]propanoic acid
CID 106216421
3-[(5-amino-5-oxopentyl)carbamoyl-ethylamino]propanoic acid
CID 106238668
3-[ethyl-[[1-(methylamino)-1-oxopropan-2-yl]carbamoyl]amino]propanoic acid
CID 54955861
3-[ethyl-(3-methylcyclobutanecarbonyl)amino]propanoic acid
CID 115909737
3-[ethoxycarbonyl(ethyl)amino]propanoic acid
CID 22758760
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
CID 79350248
3-[ethyl(2-methylbut-2-enoyl)amino]propanoic acid
CID 103925566
3-[ethyl-[(2,4,6-trimethylphenyl)carbamoyl]amino]propanoic acid
CID 61183576

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid (CID 79350601) is 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid?
The InChIKey is OSTQNQDCFSEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-6-15(8-7-9(16)17)11(18)14-10-12(2,3)13(10,4)5/h10H,6-8H2,1-5H3,(H,14,18)(H,16,17).
What are the key properties of 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(2,2,3,3-tetramethylcyclopropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 79350601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).