3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid

C15H28N2O3 — CID 102907220

IUPAC3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
SMILESCC(C)C(CNC(=O)NC(CC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-9(2)12(10(3)4)8-16-15(20)17-13(7-14(18)19)11-5-6-11/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyYOZQSFKKVXKYMQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.47
Rot. Bonds8

About 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid

3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid (PubChem CID 102907220) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
PubChem CID102907220
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
SMILESCC(C)C(CNC(=O)NC(CC(=O)O)C1CC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-9(2)12(10(3)4)8-16-15(20)17-13(7-14(18)19)11-5-6-11/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20)
InChIKeyYOZQSFKKVXKYMQ-UHFFFAOYSA-N
XLogP2.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-3-[2-(dimethylamino)propylcarbamoylamino]propanoic acid
CID 82003164
3-cyclopropyl-3-(2-cyclopropylethylcarbamoylamino)propanoic acid
CID 82003378
3-cyclopropyl-3-[(2-methylcyclohexyl)methylcarbamoylamino]propanoic acid
CID 82002968
(2R)-2-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid
CID 102907124
3-cyclopropyl-3-(oxan-4-ylmethylcarbamoylamino)propanoic acid
CID 82002423
3-cyclopropyl-3-(2-cyclopropylpropan-2-ylcarbamoylamino)propanoic acid
CID 114111558
3-cyclopropyl-3-[(2,2-dimethylcyclopropyl)carbamoylamino]propanoic acid
CID 82003269
3-cyclopropyl-3-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]propanoic acid
CID 81362383
3-cyclopropyl-3-[2-(2,2-difluoroethoxy)ethylcarbamoylamino]propanoic acid
CID 114128571
(2S)-2-(2,2-dicyclopropylethylcarbamoylamino)-3-methylbutanoic acid
CID 79013638
3-cyclopentyl-3-(propan-2-ylamino)propanoic acid
CID 83637719
3-cyclopropyl-3-(octan-4-ylcarbamoylamino)propanoic acid
CID 106020595

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid (CID 102907220) is 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid is CC(C)C(CNC(=O)NC(CC(=O)O)C1CC1)C(C)C.
What is the InChIKey of 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
The InChIKey is YOZQSFKKVXKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(2)12(10(3)4)8-16-15(20)17-13(7-14(18)19)11-5-6-11/h9-13H,5-8H2,1-4H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid?
3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 102907220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).