2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid

C18H35N5O7 — CID 155726280

IUPAC2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
SMILESCNC(=O)CN1CCN(CC(=O)O)CCCCCN(CC(=O)O)CC1.NCC(=O)O
InChIInChI=1S/C16H30N4O5.C2H5NO2/c1-17-14(21)11-20-9-7-18(12-15(22)23)5-3-2-4-6-19(8-10-20)13-16(24)25;3-1-2(4)5/h2-13H2,1H3,(H,17,21)(H,22,23)(H,24,25);1,3H2,(H,4,5)
InChIKeyRSEKCWJLTSEOOW-UHFFFAOYSA-N
MW433.51 g/mol
LogP-1.98
Rot. Bonds7

About 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid

2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid (PubChem CID 155726280) has the molecular formula C18H35N5O7 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
PubChem CID155726280
Molecular FormulaC18H35N5O7
Molecular Weight433.51 g/mol
Exact Mass433.25
IUPAC Name2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid
SMILESCNC(=O)CN1CCN(CC(=O)O)CCCCCN(CC(=O)O)CC1.NCC(=O)O
InChIInChI=1S/C16H30N4O5.C2H5NO2/c1-17-14(21)11-20-9-7-18(12-15(22)23)5-3-2-4-6-19(8-10-20)13-16(24)25;3-1-2(4)5/h2-13H2,1H3,(H,17,21)(H,22,23)(H,24,25);1,3H2,(H,4,5)
InChIKeyRSEKCWJLTSEOOW-UHFFFAOYSA-N
XLogP-1.98
TPSA176.74 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 5-1.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,7-bis(carboxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19838418
2-[4-[4-(methylamino)-4-oxobutyl]-1,4-diazepan-1-yl]acetic acid
CID 63892098
2-[4,10-bis(carboxymethyl)-7-(formyloxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;2-[4-(carboxymethyl)-7-(formyloxymethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;methanamine
CID 159172454
N-methyl-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 89043934
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 63309954
2-[4-[2-(ethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]acetic acid
CID 55119243
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
3-[4,10-bis(carboxymethyl)-7-[3-(methylamino)-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid
CID 122463672
ethane;N-methyl-2-[4-(piperidin-1-ylmethyl)piperidin-1-yl]acetamide
CID 142390398
2-[5-(carboxymethyl)-1,5-diazocan-1-yl]acetic acid
CID 4776245
2-(azonan-1-yl)acetohydrazide
CID 130750156
methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-10-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 143494239

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid?
The IUPAC name of 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid (CID 155726280) is 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid.
What is the SMILES notation for 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid?
The canonical SMILES for 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid is CNC(=O)CN1CCN(CC(=O)O)CCCCCN(CC(=O)O)CC1.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid?
The InChIKey is RSEKCWJLTSEOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O5.C2H5NO2/c1-17-14(21)11-20-9-7-18(12-15(22)23)5-3-2-4-6-19(8-10-20)13-16(24)25;3-1-2(4)5/h2-13H2,1H3,(H,17,21)(H,22,23)(H,24,25);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid?
2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid has a molecular weight of 433.51 g/mol, XLogP of -1.98, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-[7-(carboxymethyl)-4-[2-(methylamino)-2-oxoethyl]-1,4,7-triazacyclododec-1-yl]acetic acid is sourced from PubChem (CID 155726280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).