2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid

C8H13N3O4 — CID 65466641

IUPAC2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
SMILESNC1(C(=O)NCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H13N3O4/c9-8(1-2-8)7(15)11-3-5(12)10-4-6(13)14/h1-4,9H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyKQJVHZRDDSAIKK-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.21
Rot. Bonds5

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

2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid (PubChem CID 65466641) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
PubChem CID65466641
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid
SMILESNC1(C(=O)NCC(=O)NCC(=O)O)CC1
InChIInChI=1S/C8H13N3O4/c9-8(1-2-8)7(15)11-3-5(12)10-4-6(13)14/h1-4,9H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyKQJVHZRDDSAIKK-UHFFFAOYSA-N
XLogP-2.21
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(1-amino-3-methylcyclohexanecarbonyl)amino]acetyl]amino]acetic acid
CID 64554848
1-amino-N-[2-(methylamino)-2-oxoethyl]cyclobutane-1-carboxamide
CID 81179179
2-[[2-(1-aminocyclobutyl)acetyl]amino]acetic acid
CID 79854186
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
2-[[2-[[2-[1-(aminomethyl)cyclobutyl]acetyl]amino]acetyl]amino]acetic acid
CID 81171912
2-[[2-[[2-(1-aminoethenylamino)acetyl]amino]acetyl]amino]acetic acid
CID 144959900
2-[[2-[(6-amino-7,7-dimethyl-2-oxabicyclo[3.2.0]heptane-6-carbonyl)amino]acetyl]amino]acetic acid
CID 114945698
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
1-amino-N-(2-aminoethyl)cyclopropane-1-carboxamide
CID 65466649
1-amino-N-ethylcyclopropane-1-carboxamide;hydrochloride
CID 134692608
2-[[1-(aminomethyl)cyclohexanecarbonyl]amino]acetic acid
CID 115437637

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid (CID 65466641) is 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid is NC1(C(=O)NCC(=O)NCC(=O)O)CC1.
What is the InChIKey of 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid?
The InChIKey is KQJVHZRDDSAIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-8(1-2-8)7(15)11-3-5(12)10-4-6(13)14/h1-4,9H2,(H,10,12)(H,11,15)(H,13,14).
What are the key properties of 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid?
2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -2.21, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-aminocyclopropanecarbonyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 65466641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).