5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

C11H21N3O5 — CID 81057472

IUPAC5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCOCCN(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-19-7-6-14(2)11(18)13-8(10(16)17)4-5-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyVOMBICXSAZWPOE-UHFFFAOYSA-N
MW275.31 g/mol
LogP-0.62
Rot. Bonds9

About 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (PubChem CID 81057472) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
PubChem CID81057472
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
SMILESCCOCCN(C)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H21N3O5/c1-3-19-7-6-14(2)11(18)13-8(10(16)17)4-5-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17)
InChIKeyVOMBICXSAZWPOE-UHFFFAOYSA-N
XLogP-0.62
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-5-oxopentanoic acid
CID 63699583
(2S)-5-amino-2-[[methyl(pentyl)carbamoyl]amino]-5-oxopentanoic acid
CID 61197974
2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81081493
(2S)-5-amino-2-(3-ethoxypropanoylamino)-5-oxopentanoic acid
CID 62591193
(2R)-5-amino-2-[[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830862
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
(2R)-5-amino-2-(3-ethoxypropylcarbamoylamino)-5-oxopentanoic acid
CID 114006057
(2R)-5-amino-2-[[methyl(pentan-3-yl)carbamoyl]amino]-5-oxopentanoic acid
CID 107830593
(2R)-5-amino-2-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]-5-oxopentanoic acid
CID 107831208
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2R)-5-amino-2-[[3-(dimethylamino)propyl-ethylcarbamoyl]amino]-5-oxopentanoic acid
CID 107831192

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid (CID 81057472) is 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is CCOCCN(C)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
The InChIKey is VOMBICXSAZWPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-3-19-7-6-14(2)11(18)13-8(10(16)17)4-5-9(12)15/h8H,3-7H2,1-2H3,(H2,12,15)(H,13,18)(H,16,17).
What are the key properties of 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-ethoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 81057472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).