2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid

C14H20N2O3 — CID 82042587

IUPAC2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
SMILESCN(CCCC(=O)NCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-16(11-12-6-3-2-4-7-12)9-5-8-13(17)15-10-14(18)19/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyIOOMZMUIPBLQFX-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.10
Rot. Bonds8

About 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid

2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid (PubChem CID 82042587) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid.

Molecular Properties

Compound Name2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
PubChem CID82042587
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid
SMILESCN(CCCC(=O)NCC(=O)O)Cc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-16(11-12-6-3-2-4-7-12)9-5-8-13(17)15-10-14(18)19/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,18,19)
InChIKeyIOOMZMUIPBLQFX-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-5-chloropentanamide
CID 28971541
N-[3-[benzyl(methyl)amino]propyl]octanamide
CID 173154177
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
3-[benzyl(methyl)amino]-N-(3-phenylpropyl)propanamide
CID 109020589
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]benzamide
CID 41306011
4-[benzyl(methyl)amino]-1-[4-[4-[benzyl(methyl)amino]butanoyl]phenyl]butan-1-one;dihydrochloride
CID 52997459
2-[3-[benzyl(methyl)amino]propylamino]-N-ethylacetamide
CID 28577544
(1Z)-6-[benzyl(methyl)amino]-1-hydroxyiminohexan-2-one
CID 6405380
2-amino-N-[3-[benzyl(methyl)amino]propyl]acetamide;dihydrochloride
CID 119835671
N-(3-aminophenyl)-4-[benzyl(methyl)amino]butanamide
CID 18070061
2-[(6-oxo-6-phenylmethoxyhexanoyl)amino]acetic acid
CID 121350347
2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid?
The IUPAC name of 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid (CID 82042587) is 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid.
What is the SMILES notation for 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid?
The canonical SMILES for 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid is CN(CCCC(=O)NCC(=O)O)Cc1ccccc1.
What is the InChIKey of 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid?
The InChIKey is IOOMZMUIPBLQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(11-12-6-3-2-4-7-12)9-5-8-13(17)15-10-14(18)19/h2-4,6-7H,5,8-11H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid?
2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(methyl)amino]butanoylamino]acetic acid is sourced from PubChem (CID 82042587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).