2-[1-(diaminomethylideneamino)ethylamino]acetic acid

C5H12N4O2 — CID 87120373

IUPAC2-[1-(diaminomethylideneamino)ethylamino]acetic acid
SMILESCC(N=C(N)N)NCC(=O)O
InChIInChI=1S/C5H12N4O2/c1-3(9-5(6)7)8-2-4(10)11/h3,8H,2H2,1H3,(H,10,11)(H4,6,7,9)
InChIKeyGBKVJYKEQLYZSD-UHFFFAOYSA-N
MW160.18 g/mol
LogP-1.72
Rot. Bonds4

About 2-[1-(diaminomethylideneamino)ethylamino]acetic acid

2-[1-(diaminomethylideneamino)ethylamino]acetic acid (PubChem CID 87120373) has the molecular formula C5H12N4O2 and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-[1-(diaminomethylideneamino)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(diaminomethylideneamino)ethylamino]acetic acid
PubChem CID87120373
Molecular FormulaC5H12N4O2
Molecular Weight160.18 g/mol
Exact Mass160.10
IUPAC Name2-[1-(diaminomethylideneamino)ethylamino]acetic acid
SMILESCC(N=C(N)N)NCC(=O)O
InChIInChI=1S/C5H12N4O2/c1-3(9-5(6)7)8-2-4(10)11/h3,8H,2H2,1H3,(H,10,11)(H4,6,7,9)
InChIKeyGBKVJYKEQLYZSD-UHFFFAOYSA-N
XLogP-1.72
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 5-1.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(carboxymethylamino)-5-(diaminomethylideneamino)-4-methylpentanoic acid
CID 90787116
N-[1-(diaminomethylideneamino)ethyl]acetamide
CID 88609974
2-(carboxymethylamino)propanoic acid
CID 2764308
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
2-[[(Z)-pent-3-en-2-yl]amino]acetic acid
CID 143858966
2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
CID 87428208
2-[[(2S)-but-3-yn-2-yl]amino]acetic acid
CID 135221499
2-(diaminomethylideneamino)propanoic acid;hydrate
CID 141309019
2-(carboxymethylamino)propanedioic acid;hydrazine
CID 158445121
2-[[(2S)-1-oxo-1-propoxypropan-2-yl]amino]acetic acid
CID 163971647
3-[1-(diaminomethylideneamino)ethylsulfanyl]butanoic acid
CID 118327767
3-(diaminomethylideneamino)-2-methylpropanoic acid;ethane;methane;N-methylmethanamine
CID 160941583

Frequently Asked Questions

What is the IUPAC name of 2-[1-(diaminomethylideneamino)ethylamino]acetic acid?
The IUPAC name of 2-[1-(diaminomethylideneamino)ethylamino]acetic acid (CID 87120373) is 2-[1-(diaminomethylideneamino)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(diaminomethylideneamino)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(diaminomethylideneamino)ethylamino]acetic acid is CC(N=C(N)N)NCC(=O)O.
What is the InChIKey of 2-[1-(diaminomethylideneamino)ethylamino]acetic acid?
The InChIKey is GBKVJYKEQLYZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O2/c1-3(9-5(6)7)8-2-4(10)11/h3,8H,2H2,1H3,(H,10,11)(H4,6,7,9).
What are the key properties of 2-[1-(diaminomethylideneamino)ethylamino]acetic acid?
2-[1-(diaminomethylideneamino)ethylamino]acetic acid has a molecular weight of 160.18 g/mol, XLogP of -1.72, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diaminomethylideneamino)ethylamino]acetic acid is sourced from PubChem (CID 87120373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).