3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid

C11H21N3O4 — CID 81069323

IUPAC3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC(=O)N(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-8(5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyKVKLAUCWTDIEFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.13
Rot. Bonds7

About 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid

3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid (PubChem CID 81069323) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
PubChem CID81069323
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
SMILESCCC(CNC(=O)NCC(=O)N(C)C)CC(=O)O
InChIInChI=1S/C11H21N3O4/c1-4-8(5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18)
InChIKeyKVKLAUCWTDIEFC-UHFFFAOYSA-N
XLogP-0.13
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid?
The IUPAC name of 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid (CID 81069323) is 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid is CCC(CNC(=O)NCC(=O)N(C)C)CC(=O)O.
What is the InChIKey of 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid?
The InChIKey is KVKLAUCWTDIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-4-8(5-10(16)17)6-12-11(18)13-7-9(15)14(2)3/h8H,4-7H2,1-3H3,(H,16,17)(H2,12,13,18).
What are the key properties of 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid?
3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid has a molecular weight of 259.31 g/mol, XLogP of -0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid is sourced from PubChem (CID 81069323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).