2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid

C12H21N3O4 — CID 64685700

IUPAC2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
SMILESNCC(=O)NCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21N3O4/c13-7-9(16)14-8-10(17)15-12(6-11(18)19)4-2-1-3-5-12/h1-8,13H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFHGFGOHEMLHVMH-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.64
Rot. Bonds6

About 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid

2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid (PubChem CID 64685700) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
PubChem CID64685700
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid
SMILESNCC(=O)NCC(=O)NC1(CC(=O)O)CCCCC1
InChIInChI=1S/C12H21N3O4/c13-7-9(16)14-8-10(17)15-12(6-11(18)19)4-2-1-3-5-12/h1-8,13H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyFHGFGOHEMLHVMH-UHFFFAOYSA-N
XLogP-0.64
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909
2-[1-[[2-(1-aminocyclobutyl)acetyl]amino]cyclohexyl]acetic acid
CID 79854754
2-[1-[(4-amino-3-methylbutanoyl)amino]cyclohexyl]acetic acid
CID 81080778
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]cyclopentyl]acetic acid
CID 81168920
2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-(3-methylsulfanylpropanoylamino)cyclohexyl]acetic acid
CID 64671361
2-[1-[(4-amino-4-methylpentanoyl)amino]cyclohexyl]acetic acid
CID 64686097
2-[1-(3-methoxypropanoylamino)cyclohexyl]acetic acid
CID 64672330
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-[1-[[2-[3-(4-methylphenyl)propanoylamino]acetyl]amino]cyclobutyl]acetic acid
CID 119217757

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid (CID 64685700) is 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid is NCC(=O)NCC(=O)NC1(CC(=O)O)CCCCC1.
What is the InChIKey of 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid?
The InChIKey is FHGFGOHEMLHVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-7-9(16)14-8-10(17)15-12(6-11(18)19)4-2-1-3-5-12/h1-8,13H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid?
2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(2-aminoacetyl)amino]acetyl]amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64685700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).