hydroxymethyl N,N-bis(hydroxymethyl)carbamate

C4H9NO5 — CID 139920036

IUPAChydroxymethyl N,N-bis(hydroxymethyl)carbamate
SMILESO=C(OCO)N(CO)CO
InChIInChI=1S/C4H9NO5/c6-1-5(2-7)4(9)10-3-8/h6-8H,1-3H2
InChIKeyMEPZEKJHAJRWSD-UHFFFAOYSA-N
MW151.12 g/mol
LogP-1.73
Rot. Bonds3

About hydroxymethyl N,N-bis(hydroxymethyl)carbamate

hydroxymethyl N,N-bis(hydroxymethyl)carbamate (PubChem CID 139920036) has the molecular formula C4H9NO5 and a molecular weight of 151.12 g/mol. Its IUPAC name is hydroxymethyl N,N-bis(hydroxymethyl)carbamate.

Molecular Properties

Compound Namehydroxymethyl N,N-bis(hydroxymethyl)carbamate
PubChem CID139920036
Molecular FormulaC4H9NO5
Molecular Weight151.12 g/mol
Exact Mass151.05
IUPAC Namehydroxymethyl N,N-bis(hydroxymethyl)carbamate
SMILESO=C(OCO)N(CO)CO
InChIInChI=1S/C4H9NO5/c6-1-5(2-7)4(9)10-3-8/h6-8H,1-3H2
InChIKeyMEPZEKJHAJRWSD-UHFFFAOYSA-N
XLogP-1.73
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl N,N-bis(hydroxymethyl)carbamate
CID 54415471
N-(aminomethyl)-N-(hydroxymethyl)acetamide
CID 59944687
hydroxymethyl (E)-2-methylbut-2-enoate
CID 87487357
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62953811
bis(hydroxymethyl) hexanedioate
CID 22892542
3-hydroxy-1,1-bis(hydroxymethyl)urea
CID 87879214
bis(hydroxymethyl) pentanedioate
CID 56975769
1,3-bis(2-hydroxyethyl)-1,3-bis(hydroxymethyl)urea
CID 157141155
2-methylpropyl N,N-bis(2-hydroxyethyl)carbamate
CID 61233456
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
1-ethyl-1,3,3-tris(hydroxymethyl)urea
CID 18402780

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl N,N-bis(hydroxymethyl)carbamate?
The IUPAC name of hydroxymethyl N,N-bis(hydroxymethyl)carbamate (CID 139920036) is hydroxymethyl N,N-bis(hydroxymethyl)carbamate.
What is the SMILES notation for hydroxymethyl N,N-bis(hydroxymethyl)carbamate?
The canonical SMILES for hydroxymethyl N,N-bis(hydroxymethyl)carbamate is O=C(OCO)N(CO)CO.
What is the InChIKey of hydroxymethyl N,N-bis(hydroxymethyl)carbamate?
The InChIKey is MEPZEKJHAJRWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO5/c6-1-5(2-7)4(9)10-3-8/h6-8H,1-3H2.
What are the key properties of hydroxymethyl N,N-bis(hydroxymethyl)carbamate?
hydroxymethyl N,N-bis(hydroxymethyl)carbamate has a molecular weight of 151.12 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl N,N-bis(hydroxymethyl)carbamate is sourced from PubChem (CID 139920036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).