2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid

C14H24N2O4 — CID 63706066

IUPAC2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCOCC1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,11-3-4-11)15-13(19)16(2)9-10-5-7-20-8-6-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySOMHFRHDTJYUIY-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.31
Rot. Bonds5

About 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid

2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid (PubChem CID 63706066) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
PubChem CID63706066
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
SMILESCN(CC1CCOCC1)C(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C14H24N2O4/c1-14(12(17)18,11-3-4-11)15-13(19)16(2)9-10-5-7-20-8-6-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18)
InChIKeySOMHFRHDTJYUIY-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-trifluoro-2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 79789115
2-methyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]pentanoic acid
CID 63706063
2,2-dimethyl-4-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65301944
1-methyl-1-(oxan-4-ylmethyl)-3-propylurea
CID 110752121
(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)propanoic acid
CID 152625765
2-[[cyclobutylmethyl(methyl)carbamoyl]amino]-2-ethylbutanoic acid
CID 79803996
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79801582
3-amino-N,2,2,3-tetramethyl-N-(oxan-4-ylmethyl)butanamide
CID 65267378
2-cyclopropyl-2-[[ethyl(propyl)carbamoyl]amino]propanoic acid
CID 61195647
4-[[[methyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]benzoic acid
CID 119068665
1,3-dimethyl-1-[[(3S)-oxolan-3-yl]methyl]urea
CID 163816588
2-amino-N,2-dimethyl-N-(oxan-4-ylmethyl)butanamide
CID 79812019

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid (CID 63706066) is 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid is CN(CC1CCOCC1)C(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid?
The InChIKey is SOMHFRHDTJYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(17)18,11-3-4-11)15-13(19)16(2)9-10-5-7-20-8-6-10/h10-11H,3-9H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid?
2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 63706066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).