2,2-diamino-2-(1H-imidazol-5-yl)acetic acid

C5H8N4O2 — CID 145101043

IUPAC2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
SMILESNC(N)(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C5H8N4O2/c6-5(7,4(10)11)3-1-8-2-9-3/h1-2H,6-7H2,(H,8,9)(H,10,11)
InChIKeyKPDDHHOQJYNPKJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP-1.44
Rot. Bonds2

About 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid

2,2-diamino-2-(1H-imidazol-5-yl)acetic acid (PubChem CID 145101043) has the molecular formula C5H8N4O2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
PubChem CID145101043
Molecular FormulaC5H8N4O2
Molecular Weight156.15 g/mol
Exact Mass156.06
IUPAC Name2,2-diamino-2-(1H-imidazol-5-yl)acetic acid
SMILESNC(N)(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C5H8N4O2/c6-5(7,4(10)11)3-1-8-2-9-3/h1-2H,6-7H2,(H,8,9)(H,10,11)
InChIKeyKPDDHHOQJYNPKJ-UHFFFAOYSA-N
XLogP-1.44
TPSA118.02 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2,5-diamino-2,3-bis(2-aminoacetyl)-3-(1H-imidazol-5-yl)-4-oxopentanoic acid
CID 141074977
amino-chloro-(1H-imidazol-5-yl)methanol
CID 174473785
CID 101407841
CID 101407841
2-(1H-imidazol-5-yl)-N-methoxy-2-methylpropanamide
CID 130626517
ethyl 2-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 155858690
3-(6-amino-3-pyridinyl)-2-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 70039288
(2R)-2-amino-2-(1H-imidazol-5-ylmethyl)-3-methylbutanoic acid;hydrochloride
CID 90679615
5-(1,1-difluoroethyl)-1H-imidazole
CID 147887964
bis(1H-imidazole-5-carboxylic acid);manganese
CID 134691385
1H-imidazole-5-carboxylic acid;dihydrate
CID 140542846
(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
CID 124638542
amino(1H-imidazol-5-yl)carbamic acid
CID 174744446

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid?
The IUPAC name of 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid (CID 145101043) is 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid.
What is the SMILES notation for 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid?
The canonical SMILES for 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid is NC(N)(C(=O)O)c1cnc[nH]1.
What is the InChIKey of 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid?
The InChIKey is KPDDHHOQJYNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2/c6-5(7,4(10)11)3-1-8-2-9-3/h1-2H,6-7H2,(H,8,9)(H,10,11).
What are the key properties of 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid?
2,2-diamino-2-(1H-imidazol-5-yl)acetic acid has a molecular weight of 156.15 g/mol, XLogP of -1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-2-(1H-imidazol-5-yl)acetic acid is sourced from PubChem (CID 145101043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).