2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid

C10H18N4O6 — CID 139393080

IUPAC2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
SMILESNC(=O)CN(CCN(CCN=O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N4O6/c11-8(15)5-14(7-10(18)19)4-3-13(2-1-12-20)6-9(16)17/h1-7H2,(H2,11,15)(H,16,17)(H,18,19)
InChIKeyPFKORCYIKVAJBV-UHFFFAOYSA-N
MW290.28 g/mol
LogP-1.99
Rot. Bonds12

About 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid

2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid (PubChem CID 139393080) has the molecular formula C10H18N4O6 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
PubChem CID139393080
Molecular FormulaC10H18N4O6
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid
SMILESNC(=O)CN(CCN(CCN=O)CC(=O)O)CC(=O)O
InChIInChI=1S/C10H18N4O6/c11-8(15)5-14(7-10(18)19)4-3-13(2-1-12-20)6-9(16)17/h1-7H2,(H2,11,15)(H,16,17)(H,18,19)
InChIKeyPFKORCYIKVAJBV-UHFFFAOYSA-N
XLogP-1.99
TPSA153.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[bis[2-[bis(2-amino-2-oxoethyl)amino]ethyl]amino]acetamide
CID 10134862
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;lanthanum(3+)
CID 10230281
Pentasodium (carboxymethylimino)bis(ethylene-nitrilo)tetraacetic acid
CID 131710950
Ca-DTPA
CID 86735184
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(2+)
CID 6396686
2-[(2-amino-2-oxoethyl)-(3-aminopropyl)amino]acetic acid
CID 107440465
disodium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;iron(3+)
CID 139596317
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid?
The IUPAC name of 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid (CID 139393080) is 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid?
The canonical SMILES for 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid is NC(=O)CN(CCN(CCN=O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid?
The InChIKey is PFKORCYIKVAJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O6/c11-8(15)5-14(7-10(18)19)4-3-13(2-1-12-20)6-9(16)17/h1-7H2,(H2,11,15)(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid?
2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid has a molecular weight of 290.28 g/mol, XLogP of -1.99, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]ethyl-(2-nitrosoethyl)amino]acetic acid is sourced from PubChem (CID 139393080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).