2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid

C11H17N3O7 — CID 163725699

IUPAC2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17N3O7/c1-12-11(10(20)21)2-6(11)13-7(15)3-14(4-8(16)17)5-9(18)19/h6,12H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyKVJJSPOGIDQBMX-UHFFFAOYSA-N
MW303.27 g/mol
LogP-2.61
Rot. Bonds9

About 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid

2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid (PubChem CID 163725699) has the molecular formula C11H17N3O7 and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid
PubChem CID163725699
Molecular FormulaC11H17N3O7
Molecular Weight303.27 g/mol
Exact Mass303.11
IUPAC Name2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid
SMILESCNC1(C(=O)O)CC1NC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H17N3O7/c1-12-11(10(20)21)2-6(11)13-7(15)3-14(4-8(16)17)5-9(18)19/h6,12H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21)
InChIKeyKVJJSPOGIDQBMX-UHFFFAOYSA-N
XLogP-2.61
TPSA156.27 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 5-2.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid (CID 163725699) is 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid is CNC1(C(=O)O)CC1NC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid?
The InChIKey is KVJJSPOGIDQBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O7/c1-12-11(10(20)21)2-6(11)13-7(15)3-14(4-8(16)17)5-9(18)19/h6,12H,2-5H2,1H3,(H,13,15)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid?
2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of -2.61, 9 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis(carboxymethyl)amino]acetyl]amino]-1-(methylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 163725699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).