2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid

C14H26N2O4 — CID 122005193

IUPAC2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCC1CCOC1C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)12-11(5-6-20-12)7-15-14(19)16(4)8-10(3)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyUPXZFDDQVTWJCI-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.41
Rot. Bonds6

About 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 122005193) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID122005193
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)NCC1CCOC1C(C)C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-9(2)12-11(5-6-20-12)7-15-14(19)16(4)8-10(3)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyUPXZFDDQVTWJCI-UHFFFAOYSA-N
XLogP1.41
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(2-propan-2-yloxolan-3-yl)methyl]propanamide
CID 119343855
3-amino-2-methyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide
CID 120502254
3-[(5,5-dimethyloxolan-2-yl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122010962
1-propan-2-yl-3-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 128997473
2-methyl-3-[methyl(thiolan-3-ylmethylcarbamoyl)amino]propanoic acid
CID 107297462
2-methyl-3-[methyl-[(2-methyloxan-4-yl)carbamoyl]amino]propanoic acid
CID 114108655
(2S)-2-amino-3,3-dimethyl-N-[(2-propan-2-yloxolan-3-yl)methyl]butanamide;hydrochloride
CID 119819182
(2S)-2-amino-N-[(2-propan-2-yloxan-3-yl)methyl]propanamide;hydrochloride
CID 119344063
1-(2-cyclopropylethyl)-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079352
3-[1,4-dioxaspiro[4.4]nonan-3-ylmethylcarbamoyl(methyl)amino]-2-methylpropanoic acid
CID 122008899
(2R)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
CID 129325922
(2S)-4-methyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]morpholine-2-carboxamide
CID 129325921

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid (CID 122005193) is 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid is CC(CN(C)C(=O)NCC1CCOC1C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is UPXZFDDQVTWJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)12-11(5-6-20-12)7-15-14(19)16(4)8-10(3)13(17)18/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid?
2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[(2-propan-2-yloxolan-3-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122005193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).