2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid

C12H22N2O4 — CID 66259127

IUPAC2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
SMILESCCNC1COCC1C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-8(12(16)17)5-14-11(15)9-6-18-7-10(9)13-4-2/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKVBCBLWCIUMXDL-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.16
Rot. Bonds7

About 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid

2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid (PubChem CID 66259127) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
PubChem CID66259127
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid
SMILESCCNC1COCC1C(=O)NCC(CC)C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-8(12(16)17)5-14-11(15)9-6-18-7-10(9)13-4-2/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKVBCBLWCIUMXDL-UHFFFAOYSA-N
XLogP-0.16
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid (CID 66259127) is 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid is CCNC1COCC1C(=O)NCC(CC)C(=O)O.
What is the InChIKey of 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid?
The InChIKey is KVBCBLWCIUMXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-8(12(16)17)5-14-11(15)9-6-18-7-10(9)13-4-2/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid?
2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of -0.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[4-(ethylamino)oxolane-3-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 66259127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).