2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid

C15H28N2O3 — CID 79350072

IUPAC2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-7-8-15(6,11(18)19)17-12(20)16-9-10-13(2,3)14(10,4)5/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyFSGBBQQVQXZPOC-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.61
Rot. Bonds6

About 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid

2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid (PubChem CID 79350072) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
PubChem CID79350072
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid
SMILESCCCC(C)(NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-7-8-15(6,11(18)19)17-12(20)16-9-10-13(2,3)14(10,4)5/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20)
InChIKeyFSGBBQQVQXZPOC-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butylcarbamoylamino)-2-methylpentanoic acid
CID 43619164
2-methyl-2-[(4-methylcyclohexyl)methylcarbamoylamino]pentanoic acid
CID 63244361
2-methyl-2-[(3-methylcyclopentyl)methylcarbamoylamino]pentanoic acid
CID 107414489
2-methyl-2-(3-methylbut-2-enylcarbamoylamino)pentanoic acid
CID 106191134
2-(3-ethoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 61190758
2-(3-butoxypropylcarbamoylamino)-2-methylpentanoic acid
CID 103994211
2-methyl-2-[(4-methylmorpholin-2-yl)methylcarbamoylamino]pentanoic acid
CID 79071785
2-[[4-(cyclopropylamino)-4-oxobutyl]carbamoylamino]-2-methylpentanoic acid
CID 79380842
2-[(4-bromophenyl)methylcarbamoylamino]-2-methylpentanoic acid
CID 61196456
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 115991321
2-methyl-2-(thiophen-3-ylmethylcarbamoylamino)pentanoic acid
CID 63244586
2-(cyclohexylcarbamoylamino)-2-methylpentanoic acid
CID 43619151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid (CID 79350072) is 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid is CCCC(C)(NC(=O)NCC1C(C)(C)C1(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
The InChIKey is FSGBBQQVQXZPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-8-15(6,11(18)19)17-12(20)16-9-10-13(2,3)14(10,4)5/h10H,7-9H2,1-6H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid?
2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 79350072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).