3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid

C11H21N3O4 — CID 62827512

IUPAC3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CC(=O)NC)C(C)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-14(8(2)6-10(16)17)11(18)13(4)7-9(15)12-3/h8H,5-7H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyBKJQLQQOSWAYST-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.03
Rot. Bonds6

About 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid

3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid (PubChem CID 62827512) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
PubChem CID62827512
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid
SMILESCCN(C(=O)N(C)CC(=O)NC)C(C)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-5-14(8(2)6-10(16)17)11(18)13(4)7-9(15)12-3/h8H,5-7H2,1-4H3,(H,12,15)(H,16,17)
InChIKeyBKJQLQQOSWAYST-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propan-2-ylamino]acetic acid
CID 61197296
3-[ethyl-[2-hydroxyethyl(methyl)carbamoyl]amino]butanoic acid
CID 62826800
3-[ethyl-[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061672
3-[ethyl-[propan-2-yl(propyl)carbamoyl]amino]butanoic acid
CID 55123096
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560
2-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-propylamino]acetic acid
CID 61199001
3-[methyl-[3-(methylamino)-3-oxopropyl]amino]butanoic acid
CID 106916227
3-[2-aminopropanoyl(ethyl)amino]butanoic acid
CID 62825878
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282
3-[ethyl-[4-(methylamino)-4-oxobutyl]amino]butanoic acid
CID 63892314
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]-methylamino]propanoic acid
CID 55097076
3-[ethyl(prop-2-ynoyl)amino]butanoic acid
CID 62821571

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid (CID 62827512) is 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid is CCN(C(=O)N(C)CC(=O)NC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
The InChIKey is BKJQLQQOSWAYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-5-14(8(2)6-10(16)17)11(18)13(4)7-9(15)12-3/h8H,5-7H2,1-4H3,(H,12,15)(H,16,17).
What are the key properties of 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid?
3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]butanoic acid is sourced from PubChem (CID 62827512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).