[bis(hydroxymethyl)amino]methanol;carbamic acid

C4H12N2O5 — CID 174403206

IUPAC[bis(hydroxymethyl)amino]methanol;carbamic acid
SMILESNC(=O)O.OCN(CO)CO
InChIInChI=1S/C3H9NO3.CH3NO2/c5-1-4(2-6)3-7;2-1(3)4/h5-7H,1-3H2;2H2,(H,3,4)
InChIKeyGCOGCVDTFDDYKS-UHFFFAOYSA-N
MW168.15 g/mol
LogP-2.24
Rot. Bonds3

About [bis(hydroxymethyl)amino]methanol;carbamic acid

[bis(hydroxymethyl)amino]methanol;carbamic acid (PubChem CID 174403206) has the molecular formula C4H12N2O5 and a molecular weight of 168.15 g/mol. Its IUPAC name is [bis(hydroxymethyl)amino]methanol;carbamic acid.

Molecular Properties

Compound Name[bis(hydroxymethyl)amino]methanol;carbamic acid
PubChem CID174403206
Molecular FormulaC4H12N2O5
Molecular Weight168.15 g/mol
Exact Mass168.07
IUPAC Name[bis(hydroxymethyl)amino]methanol;carbamic acid
SMILESNC(=O)O.OCN(CO)CO
InChIInChI=1S/C3H9NO3.CH3NO2/c5-1-4(2-6)3-7;2-1(3)4/h5-7H,1-3H2;2H2,(H,3,4)
InChIKeyGCOGCVDTFDDYKS-UHFFFAOYSA-N
XLogP-2.24
TPSA127.25 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-2.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [bis(hydroxymethyl)amino]methanol;carbamic 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

2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;carbamic acid
CID 146494251
[bis(hydroxymethyl)amino]methanol;titanium
CID 174785911
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
[bis(hydroxymethyl)amino]methanol;phosphoric acid
CID 158136077
carbamic acid;yttrium
CID 20702274
carbamic acid;plumbane
CID 173013217
carbamic acid;cobalt
CID 87314881
carbamic acid;copper
CID 87387020
carbamic acid;iridium
CID 58983452
carbamic acid;indigane
CID 174683885
carbamic acid fluoride
CID 169488270
carbamic acid;N,N-dimethylmethanamine
CID 173358065

Frequently Asked Questions

What is the IUPAC name of [bis(hydroxymethyl)amino]methanol;carbamic acid?
The IUPAC name of [bis(hydroxymethyl)amino]methanol;carbamic acid (CID 174403206) is [bis(hydroxymethyl)amino]methanol;carbamic acid.
What is the SMILES notation for [bis(hydroxymethyl)amino]methanol;carbamic acid?
The canonical SMILES for [bis(hydroxymethyl)amino]methanol;carbamic acid is NC(=O)O.OCN(CO)CO.
What is the InChIKey of [bis(hydroxymethyl)amino]methanol;carbamic acid?
The InChIKey is GCOGCVDTFDDYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO3.CH3NO2/c5-1-4(2-6)3-7;2-1(3)4/h5-7H,1-3H2;2H2,(H,3,4).
What are the key properties of [bis(hydroxymethyl)amino]methanol;carbamic acid?
[bis(hydroxymethyl)amino]methanol;carbamic acid has a molecular weight of 168.15 g/mol, XLogP of -2.24, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(hydroxymethyl)amino]methanol;carbamic acid is sourced from PubChem (CID 174403206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).