sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid

C9H14NNaO2 — CID 174620375

IUPACsodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid
SMILESO=C(O)CNC1C=CC=CC1.[CH3-].[Na+]
InChIInChI=1S/C8H11NO2.CH3.Na/c10-8(11)6-9-7-4-2-1-3-5-7;;/h1-4,7,9H,5-6H2,(H,10,11);1H3;/q;-1;+1
InChIKeyGGNCRMUCCHYPNC-UHFFFAOYSA-N
MW191.21 g/mol
LogP-2.00
Rot. Bonds3

About sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid

sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid (PubChem CID 174620375) has the molecular formula C9H14NNaO2 and a molecular weight of 191.21 g/mol. Its IUPAC name is sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid.

Molecular Properties

Compound Namesodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid
PubChem CID174620375
Molecular FormulaC9H14NNaO2
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Namesodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid
SMILESO=C(O)CNC1C=CC=CC1.[CH3-].[Na+]
InChIInChI=1S/C8H11NO2.CH3.Na/c10-8(11)6-9-7-4-2-1-3-5-7;;/h1-4,7,9H,5-6H2,(H,10,11);1H3;/q;-1;+1
InChIKeyGGNCRMUCCHYPNC-UHFFFAOYSA-N
XLogP-2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)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

N-cyclohexa-2,4-dien-1-ylhydroxylamine
CID 123806769
2-(2-cyclohexa-2,4-dien-1-ylethoxycarbonylamino)acetic acid
CID 155421092
sodium;2-(cyclohexylamino)acetic acid;hydroxide
CID 164959041
2-(cyclopropylamino)acetic acid
CID 21197388
N-cyclopropylcyclohexa-2,4-dien-1-amine
CID 148926844
3-cyclohexa-2,4-dien-1-yl-3-(methylamino)propanoic acid
CID 145086383
8-cyclohexa-2,4-dien-1-yl-8-oxooctanoic acid
CID 142086755
2-amino-N-cyclohexa-2,4-dien-1-yl-N'-cyclohex-3-en-1-ylpropanediamide
CID 123380917
acetic acid;cyclohexa-2,4-dien-1-ol
CID 139242866
3-cyclohepta-3,5-dien-1-ylpropanoic acid
CID 70614890
2-(thian-4-ylamino)acetic acid
CID 43511382
2-[[(2S,3R)-3-(carboxymethylamino)-2-bicyclo[2.2.2]octanyl]amino]acetic acid
CID 10890515

Frequently Asked Questions

What is the IUPAC name of sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid?
The IUPAC name of sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid (CID 174620375) is sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid.
What is the SMILES notation for sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid?
The canonical SMILES for sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid is O=C(O)CNC1C=CC=CC1.[CH3-].[Na+].
What is the InChIKey of sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid?
The InChIKey is GGNCRMUCCHYPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.CH3.Na/c10-8(11)6-9-7-4-2-1-3-5-7;;/h1-4,7,9H,5-6H2,(H,10,11);1H3;/q;-1;+1.
What are the key properties of sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid?
sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid has a molecular weight of 191.21 g/mol, XLogP of -2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbanide;2-(cyclohexa-2,4-dien-1-ylamino)acetic acid is sourced from PubChem (CID 174620375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).