2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine

C8H21ClN4O4 — CID 161009872

IUPAC2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine
SMILESNCCN.NCCNCC(=O)O.O=C(O)CCl
InChIInChI=1S/C4H10N2O2.C2H3ClO2.C2H8N2/c5-1-2-6-3-4(7)8;3-1-2(4)5;3-1-2-4/h6H,1-3,5H2,(H,7,8);1H2,(H,4,5);1-4H2
InChIKeyTWZKWPYQSCFIOX-UHFFFAOYSA-N
MW272.73 g/mol
LogP-2.17
Rot. Bonds6

About 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine

2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine (PubChem CID 161009872) has the molecular formula C8H21ClN4O4 and a molecular weight of 272.73 g/mol. Its IUPAC name is 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine.

Molecular Properties

Compound Name2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine
PubChem CID161009872
Molecular FormulaC8H21ClN4O4
Molecular Weight272.73 g/mol
Exact Mass272.13
IUPAC Name2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine
SMILESNCCN.NCCNCC(=O)O.O=C(O)CCl
InChIInChI=1S/C4H10N2O2.C2H3ClO2.C2H8N2/c5-1-2-6-3-4(7)8;3-1-2(4)5;3-1-2-4/h6H,1-3,5H2,(H,7,8);1H2,(H,4,5);1-4H2
InChIKeyTWZKWPYQSCFIOX-UHFFFAOYSA-N
XLogP-2.17
TPSA164.69 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.73
LogP ≤ 5-2.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
2-(2-chloroethylamino)acetic acid
CID 19860488
2-[3-(2-aminoethylsulfanyl)propylamino]acetic acid
CID 175755991
sodium;2-(2-aminoethylamino)acetate;tris(ethane-1,2-diamine)
CID 23701740
acetic acid;2-aminoacetic acid;2-[3-(carboxymethylamino)propylamino]acetic acid;iron
CID 174426239
tris(2-aminoethanol);2-chloroacetic acid
CID 22995154
14-(2-aminoethylamino)tetradecanoic acid
CID 173203671
2-(carboxymethylamino)acetic acid
CID 8897
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;carbamic acid
CID 158173045
disodium bis(2-(2-aminoethylamino)acetate)
CID 173036397
2-(4-hydroxybutylamino)acetic acid
CID 22121765
2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]acetamide
CID 57107156

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine?
The IUPAC name of 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine (CID 161009872) is 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine.
What is the SMILES notation for 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine?
The canonical SMILES for 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine is NCCN.NCCNCC(=O)O.O=C(O)CCl.
What is the InChIKey of 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine?
The InChIKey is TWZKWPYQSCFIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O2.C2H3ClO2.C2H8N2/c5-1-2-6-3-4(7)8;3-1-2(4)5;3-1-2-4/h6H,1-3,5H2,(H,7,8);1H2,(H,4,5);1-4H2.
What are the key properties of 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine?
2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine has a molecular weight of 272.73 g/mol, XLogP of -2.17, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)acetic acid;2-chloroacetic acid;ethane-1,2-diamine is sourced from PubChem (CID 161009872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).