2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid

C10H18N2O7 — CID 87329814

IUPAC2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(=O)O.O=C(O)CN1CC1
InChIInChI=1S/C6H11NO5.C4H7NO2/c8-2-1-7(3-5(9)10)4-6(11)12;6-4(7)3-5-1-2-5/h8H,1-4H2,(H,9,10)(H,11,12);1-3H2,(H,6,7)
InChIKeyDCOSIJRDZQELGH-UHFFFAOYSA-N
MW278.26 g/mol
LogP-2.16
Rot. Bonds8

About 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid

2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid (PubChem CID 87329814) has the molecular formula C10H18N2O7 and a molecular weight of 278.26 g/mol. Its IUPAC name is 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
PubChem CID87329814
Molecular FormulaC10H18N2O7
Molecular Weight278.26 g/mol
Exact Mass278.11
IUPAC Name2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)CC(=O)O.O=C(O)CN1CC1
InChIInChI=1S/C6H11NO5.C4H7NO2/c8-2-1-7(3-5(9)10)4-6(11)12;6-4(7)3-5-1-2-5/h8H,1-4H2,(H,9,10)(H,11,12);1-3H2,(H,6,7)
InChIKeyDCOSIJRDZQELGH-UHFFFAOYSA-N
XLogP-2.16
TPSA138.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-[4,7,10-tris[2-[bis(carboxymethyl)amino]ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 118005296
2-[4-[2-[bis(carboxymethyl)amino]ethyl]-7-(2-iodo-2-oxoethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 138736147
CID 87469111
CID 87469111
2-[4-(carboxymethyl)-7-[3-[carboxymethyl(2-oxopropyl)amino]propyl]-1,4,7-triazonan-1-yl]acetic acid
CID 121481551
2-[4-[2-[bis(carboxymethyl)amino]-2-deuterioethyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 175932653
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
hexasodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173154313
azanium;2-[2-[bis(carboxymethyl)amino]ethyl-(2-hydroxyethyl)amino]acetic acid;iron
CID 163360235
2-[7-[2-[carboxymethyl(ethyl)amino]ethyl]-4-ethyl-1,4,7-triazecan-1-yl]acetic acid
CID 169192584
2-[4-[bis(2-hydroxyethyl)carbamoyl]-1,4-diazepan-1-yl]acetic acid
CID 62825537
2-[4-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]phenoxy]ethyl]-7,10-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 54672557
2-[7-(carboxymethyl)-4,10-dimethyl-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;ethane
CID 169258644

Frequently Asked Questions

What is the IUPAC name of 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid (CID 87329814) is 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)CC(=O)O.O=C(O)CN1CC1.
What is the InChIKey of 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
The InChIKey is DCOSIJRDZQELGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO5.C4H7NO2/c8-2-1-7(3-5(9)10)4-6(11)12;6-4(7)3-5-1-2-5/h8H,1-4H2,(H,9,10)(H,11,12);1-3H2,(H,6,7).
What are the key properties of 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid?
2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid has a molecular weight of 278.26 g/mol, XLogP of -2.16, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aziridin-1-yl)acetic acid;2-[carboxymethyl(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 87329814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).