4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid

C13H24N2O3 — CID 79350248

IUPAC4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H24N2O3/c1-8(6-7-9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyLVOTYIWYFUZVAY-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.97
Rot. Bonds5

About 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid

4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid (PubChem CID 79350248) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
PubChem CID79350248
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)NC1C(C)(C)C1(C)C
InChIInChI=1S/C13H24N2O3/c1-8(6-7-9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18)
InChIKeyLVOTYIWYFUZVAY-UHFFFAOYSA-N
XLogP1.97
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid
CID 79350424
5-(cyclobutylcarbamoylamino)hexanoic acid
CID 82848345
5-(oxan-4-ylcarbamoylamino)hexanoic acid
CID 82844829
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]pentanoic acid
CID 114629226
4-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]pentanoic acid
CID 79556227
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]pentanedioic acid
CID 82950117
5-(pentan-2-ylcarbamoylamino)hexanoic acid
CID 82845875
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
4-oxo-4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]but-2-enoic acid
CID 79350321
5-(heptan-2-ylcarbamoylamino)hexanoic acid
CID 82848165
4-[[2-(3-carboxypropanoylamino)acetyl]amino]pentanoic acid
CID 134182114
3-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]butanoic acid
CID 66477795

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The IUPAC name of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid (CID 79350248) is 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The canonical SMILES for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid is CC(CCC(=O)O)NC(=O)NC1C(C)(C)C1(C)C.
What is the InChIKey of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
The InChIKey is LVOTYIWYFUZVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-8(6-7-9(16)17)14-11(18)15-10-12(2,3)13(10,4)5/h8,10H,6-7H2,1-5H3,(H,16,17)(H2,14,15,18).
What are the key properties of 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid?
4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,3,3-tetramethylcyclopropyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 79350248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).