2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid

C13H25N3O4 — CID 65220926

IUPAC2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(CC)CC(=O)NCC)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-7-10(12(18)19)8-15-13(20)16(6-3)9-11(17)14-5-2/h10H,4-9H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDLVGQAASVXQINH-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.65
Rot. Bonds9

About 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid

2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid (PubChem CID 65220926) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
PubChem CID65220926
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)N(CC)CC(=O)NCC)C(=O)O
InChIInChI=1S/C13H25N3O4/c1-4-7-10(12(18)19)8-15-13(20)16(6-3)9-11(17)14-5-2/h10H,4-9H2,1-3H3,(H,14,17)(H,15,20)(H,18,19)
InChIKeyDLVGQAASVXQINH-UHFFFAOYSA-N
XLogP0.65
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-methoxypropanoic acid
CID 106109940
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151
2-[[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]methyl]butanoic acid
CID 65220842
2-[[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]methyl]butanoic acid
CID 65221488
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451439
2-[[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107473869
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[[[methyl-[2-(methylamino)ethyl]carbamoyl]amino]methyl]pentanoic acid
CID 65226283
2-[[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]methyl]-3-methylbutanoic acid
CID 65223396
2-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107474068
2-[(2-methylpropanoylamino)methyl]pentanoic acid
CID 65218926
2-[(methylcarbamoylamino)methyl]pentanoic acid
CID 65217625

Frequently Asked Questions

What is the IUPAC name of 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid?
The IUPAC name of 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid (CID 65220926) is 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid is CCCC(CNC(=O)N(CC)CC(=O)NCC)C(=O)O.
What is the InChIKey of 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid?
The InChIKey is DLVGQAASVXQINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-4-7-10(12(18)19)8-15-13(20)16(6-3)9-11(17)14-5-2/h10H,4-9H2,1-3H3,(H,14,17)(H,15,20)(H,18,19).
What are the key properties of 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid?
2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.65, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 65220926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).