2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid

C10H20N2O3 — CID 87609068

IUPAC2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CCC(CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)3-4-8(10(14)15)6-12-9(13)5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNEMPPQHZLRRHQJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.20
Rot. Bonds7

About 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid

2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 87609068) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
PubChem CID87609068
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CCC(CNC(=O)CN)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)3-4-8(10(14)15)6-12-9(13)5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyNEMPPQHZLRRHQJ-UHFFFAOYSA-N
XLogP0.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]pentanoic acid
CID 65224048
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888
2-[[(5-amino-4-methylpentanoyl)amino]methyl]butanoic acid
CID 82689234
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
2-amino-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66089038
2-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]pentanoic acid
CID 65224044
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
2-[[3-(aminomethyl)pentanoylamino]methyl]pentanoic acid
CID 81080901
(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
CID 166903453

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid (CID 87609068) is 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid is CC(C)CCC(CNC(=O)CN)C(=O)O.
What is the InChIKey of 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is NEMPPQHZLRRHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)3-4-8(10(14)15)6-12-9(13)5-11/h7-8H,3-6,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid?
2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 87609068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).