3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid

C10H18N2O4 — CID 81065753

IUPAC3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CNC(C)=O)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-8(4-10(15)16)5-12-9(14)6-11-7(2)13/h8H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyGMALEQQOALNMFB-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds7

About 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid

3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid (PubChem CID 81065753) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
PubChem CID81065753
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CNC(C)=O)CC(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-8(4-10(15)16)5-12-9(14)6-11-7(2)13/h8H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChIKeyGMALEQQOALNMFB-UHFFFAOYSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080106
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
CID 81072834
3-[(2-methylprop-2-enylcarbamoylamino)methyl]pentanoic acid
CID 114618121
3-(acetamidomethyl)-5-methylheptanoic acid
CID 11333384
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]pentanoic acid
CID 81065670
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
3-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pentanoic acid
CID 81069323
3-[[[2-(1,4-diazepan-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81073298
2-(ethylamino)-N-(2-ethylbutyl)acetamide
CID 115738196
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid (CID 81065753) is 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid is CCC(CNC(=O)CNC(C)=O)CC(=O)O.
What is the InChIKey of 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid?
The InChIKey is GMALEQQOALNMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-8(4-10(15)16)5-12-9(14)6-11-7(2)13/h8H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid?
3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-acetamidoacetyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81065753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).