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

C8H16N2O3 — CID 81072834

IUPAC3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-6(3-8(12)13)5-10-7(11)4-9/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHANAXMGOETVLCN-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.44
Rot. Bonds6

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

3-[[(2-aminoacetyl)amino]methyl]pentanoic acid (PubChem CID 81072834) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
PubChem CID81072834
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name3-[[(2-aminoacetyl)amino]methyl]pentanoic acid
SMILESCCC(CNC(=O)CN)CC(=O)O
InChIInChI=1S/C8H16N2O3/c1-2-6(3-8(12)13)5-10-7(11)4-9/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyHANAXMGOETVLCN-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.44
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-acetamidoacetyl)amino]methyl]pentanoic acid
CID 81065753
3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid
CID 81065507
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
3-[[[2-(cyanomethylsulfanyl)acetyl]amino]methyl]pentanoic acid
CID 81065670
3-[(propan-2-yloxycarbonylamino)methyl]pentanoic acid
CID 81066315
3-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065749
3-[[[2-(3-aminophenyl)acetyl]amino]methyl]pentanoic acid
CID 81073117
3-[[2-(dimethylamino)propylcarbamoylamino]methyl]pentanoic acid
CID 81069957
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 81066904
3-[[[2-(tetrazol-1-yl)acetyl]amino]methyl]pentanoic acid
CID 81065301
3-[[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]methyl]pentanoic acid
CID 114167594

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid (CID 81072834) is 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid is CCC(CNC(=O)CN)CC(=O)O.
What is the InChIKey of 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid?
The InChIKey is HANAXMGOETVLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-6(3-8(12)13)5-10-7(11)4-9/h6H,2-5,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid?
3-[[(2-aminoacetyl)amino]methyl]pentanoic acid has a molecular weight of 188.23 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-aminoacetyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 81072834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).