2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid

C12H22N2O4 — CID 82951883

IUPAC2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCOCCN(C(=O)NC(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H22N2O4/c1-8(2)14(6-7-18-3)12(17)13-10(11(15)16)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDEXNJANRXMVIBR-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.92
Rot. Bonds7

About 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid

2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid (PubChem CID 82951883) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
PubChem CID82951883
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
SMILESCOCCN(C(=O)NC(C(=O)O)C1CC1)C(C)C
InChIInChI=1S/C12H22N2O4/c1-8(2)14(6-7-18-3)12(17)13-10(11(15)16)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyDEXNJANRXMVIBR-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid with MolForge

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Related Compounds

2-cyclopropyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 62709513
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-cyclohexyl-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61447344
(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 82951704
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 82951881
2-[[2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetyl]amino]acetic acid
CID 82951795
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 82951994
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid (CID 82951883) is 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid is COCCN(C(=O)NC(C(=O)O)C1CC1)C(C)C.
What is the InChIKey of 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid?
The InChIKey is DEXNJANRXMVIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-8(2)14(6-7-18-3)12(17)13-10(11(15)16)9-4-5-9/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid?
2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 82951883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).