2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid

C11H22N2O4 — CID 55000845

IUPAC2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCC(C)N(CCOC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-8(2)13(6-7-17-4)11(16)12-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyDKEHEESZYRBIDI-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.92
Rot. Bonds7

About 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid

2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 55000845) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
PubChem CID55000845
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCC(C)N(CCOC)C(=O)NC(C)C(=O)O
InChIInChI=1S/C11H22N2O4/c1-5-8(2)13(6-7-17-4)11(16)12-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyDKEHEESZYRBIDI-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[butan-2-yl(butyl)carbamoyl]amino]propanoic acid
CID 55004578
2-[[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221138
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
(2R)-2-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 78972056
(2S)-2-[[ethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 61196762
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
N-butan-2-yl-N-(2-methoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62845655

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid (CID 55000845) is 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid is CCC(C)N(CCOC)C(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is DKEHEESZYRBIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-5-8(2)13(6-7-17-4)11(16)12-9(3)10(14)15/h8-9H,5-7H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid?
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 246.31 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-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55000845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).