3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

C13H26N2O4 — CID 81061672

IUPAC3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CCOC(C)C)C(C)CC(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-15(11(4)9-12(16)17)13(18)14(5)7-8-19-10(2)3/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyNSXKDYXHWKQTFV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.65
Rot. Bonds8

About 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 81061672) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
PubChem CID81061672
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC Name3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CCOC(C)C)C(C)CC(=O)O
InChIInChI=1S/C13H26N2O4/c1-6-15(11(4)9-12(16)17)13(18)14(5)7-8-19-10(2)3/h10-11H,6-9H2,1-5H3,(H,16,17)
InChIKeyNSXKDYXHWKQTFV-UHFFFAOYSA-N
XLogP1.65
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 62826800
3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
CID 62827512
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 55123096
4,4,4-trifluoro-3-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81067677
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]-prop-2-enylamino]acetic acid
CID 81057488
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
2-[cyclopropylmethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]acetic acid
CID 81057310
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81057768
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (CID 81061672) is 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is CCN(C(=O)N(C)CCOC(C)C)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is NSXKDYXHWKQTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-6-15(11(4)9-12(16)17)13(18)14(5)7-8-19-10(2)3/h10-11H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 274.36 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81061672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).