1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid

C9H15N3O4 — CID 115450729

IUPAC1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC(=O)NCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-3-6(13)11-4-7(14)12-5-9(1-2-9)8(15)16/h1-5,10H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyABRSHWHKDRIWQC-UHFFFAOYSA-N
MW229.24 g/mol
LogP-1.96
Rot. Bonds6

About 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115450729) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115450729
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESNCC(=O)NCC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C9H15N3O4/c10-3-6(13)11-4-7(14)12-5-9(1-2-9)8(15)16/h1-5,10H2,(H,11,13)(H,12,14)(H,15,16)
InChIKeyABRSHWHKDRIWQC-UHFFFAOYSA-N
XLogP-1.96
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-1.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

2-amino-N-[2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-oxoethyl]acetamide
CID 103966753
2-amino-N-[2-[(1-methylcyclobutyl)methylamino]-2-oxoethyl]acetamide
CID 104872531
2-amino-N-[2-oxo-2-[(1-propylcyclopropyl)methylamino]ethyl]acetamide
CID 104872566
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
1-[[(2-amino-2-oxoethyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 53397452
1-[[(2-acetamidoacetyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 113310356
1-[(4-aminopentanoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450682
1-[(5-aminopentanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445879
1-[[[4-(2-aminoethyl)-5-methylhexanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450761
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
1-[[[1-(aminomethyl)cycloheptanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115450646
1-[(carbamoylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433058

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115450729) is 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid is NCC(=O)NCC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is ABRSHWHKDRIWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c10-3-6(13)11-4-7(14)12-5-9(1-2-9)8(15)16/h1-5,10H2,(H,11,13)(H,12,14)(H,15,16).
What are the key properties of 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of -1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115450729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).