2-(1,1-diaminoethylamino)acetic acid

C4H11N3O2 — CID 87239108

IUPAC2-(1,1-diaminoethylamino)acetic acid
SMILESCC(N)(N)NCC(=O)O
InChIInChI=1S/C4H11N3O2/c1-4(5,6)7-2-3(8)9/h7H,2,5-6H2,1H3,(H,8,9)
InChIKeyKMYZEFQGCMQMBM-UHFFFAOYSA-N
MW133.15 g/mol
LogP-1.75
Rot. Bonds3

About 2-(1,1-diaminoethylamino)acetic acid

2-(1,1-diaminoethylamino)acetic acid (PubChem CID 87239108) has the molecular formula C4H11N3O2 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(1,1-diaminoethylamino)acetic acid.

Molecular Properties

Compound Name2-(1,1-diaminoethylamino)acetic acid
PubChem CID87239108
Molecular FormulaC4H11N3O2
Molecular Weight133.15 g/mol
Exact Mass133.09
IUPAC Name2-(1,1-diaminoethylamino)acetic acid
SMILESCC(N)(N)NCC(=O)O
InChIInChI=1S/C4H11N3O2/c1-4(5,6)7-2-3(8)9/h7H,2,5-6H2,1H3,(H,8,9)
InChIKeyKMYZEFQGCMQMBM-UHFFFAOYSA-N
XLogP-1.75
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(carboxymethylamino)-2-methyl-3-oxopropanoic acid
CID 21119706
2-tert-butyl-2-(carboxymethylamino)-3,3-dimethylbutanoic acid
CID 174753736
2-[(1,1-diamino-2-octyldecyl)amino]acetic acid
CID 87200789
2-[1-(1,1-diaminoethoxy)ethenylamino]acetic acid
CID 87609871
2-(carboxymethylamino)acetic acid
CID 8897
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2,2-ditert-butylpropanedioic acid;propanedioic acid
CID 160545012
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
2-amino-2-methylpropan-1-ol;propanoic acid
CID 21404134
4-amino-4-methylpentanoic acid
CID 158438218
2-amino-2-methylpropan-1-ol;carbonic acid
CID 21330274
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
CID 23451902

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diaminoethylamino)acetic acid?
The IUPAC name of 2-(1,1-diaminoethylamino)acetic acid (CID 87239108) is 2-(1,1-diaminoethylamino)acetic acid.
What is the SMILES notation for 2-(1,1-diaminoethylamino)acetic acid?
The canonical SMILES for 2-(1,1-diaminoethylamino)acetic acid is CC(N)(N)NCC(=O)O.
What is the InChIKey of 2-(1,1-diaminoethylamino)acetic acid?
The InChIKey is KMYZEFQGCMQMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11N3O2/c1-4(5,6)7-2-3(8)9/h7H,2,5-6H2,1H3,(H,8,9).
What are the key properties of 2-(1,1-diaminoethylamino)acetic acid?
2-(1,1-diaminoethylamino)acetic acid has a molecular weight of 133.15 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diaminoethylamino)acetic acid is sourced from PubChem (CID 87239108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).