N,N-bis(1-hydroxyethyl)carbamate

C5H10NO4- — CID 23322200

IUPACN,N-bis(1-hydroxyethyl)carbamate
SMILESCC(O)N(C(=O)[O-])C(C)O
InChIInChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10)/p-1
InChIKeyJCSBCLFGXBMMKN-UHFFFAOYSA-M
MW148.14 g/mol
LogP-1.69
Rot. Bonds2

About N,N-bis(1-hydroxyethyl)carbamate

N,N-bis(1-hydroxyethyl)carbamate (PubChem CID 23322200) has the molecular formula C5H10NO4- and a molecular weight of 148.14 g/mol. Its IUPAC name is N,N-bis(1-hydroxyethyl)carbamate.

Molecular Properties

Compound NameN,N-bis(1-hydroxyethyl)carbamate
PubChem CID23322200
Molecular FormulaC5H10NO4-
Molecular Weight148.14 g/mol
Exact Mass148.06
IUPAC NameN,N-bis(1-hydroxyethyl)carbamate
SMILESCC(O)N(C(=O)[O-])C(C)O
InChIInChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10)/p-1
InChIKeyJCSBCLFGXBMMKN-UHFFFAOYSA-M
XLogP-1.69
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
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

methyl N-(2-hydroxyethyl)-N-methylcarbamate
CID 568300
N-Ethyl-N-(1-hydroxyethyl)formamide
CID 20086843
Bis(2-hydroxyethyl) carbamic acid
CID 15795359
N-Formyl-N-methylaminoethanol
CID 20551264
ethanol-N,N'-dimethyl formamide
CID 87075040
1-Fluoroethyl(1-methoxyethyl)carbamic acid
CID 124102633
2-Fluoroethyl(1-methoxyethyl)carbamic acid
CID 124102635
3-Fluoropropyl(1-hydroxyethyl)carbamic acid
CID 134211585
Carboxy-diethyl-(2-hydroxyethyl)azanium
CID 134896586
N-methyldiethanolamine carbonic acid salt
CID 12507221
methyl N-ethyl-N-(2-hydroxyethyl)carbamate
CID 12587960
methyl N,N-bis(2-hydroxyethyl)carbamate
CID 17922454

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxyethyl)carbamate?
The IUPAC name of N,N-bis(1-hydroxyethyl)carbamate (CID 23322200) is N,N-bis(1-hydroxyethyl)carbamate.
What is the SMILES notation for N,N-bis(1-hydroxyethyl)carbamate?
The canonical SMILES for N,N-bis(1-hydroxyethyl)carbamate is CC(O)N(C(=O)[O-])C(C)O.
What is the InChIKey of N,N-bis(1-hydroxyethyl)carbamate?
The InChIKey is JCSBCLFGXBMMKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO4/c1-3(7)6(4(2)8)5(9)10/h3-4,7-8H,1-2H3,(H,9,10)/p-1.
What are the key properties of N,N-bis(1-hydroxyethyl)carbamate?
N,N-bis(1-hydroxyethyl)carbamate has a molecular weight of 148.14 g/mol, XLogP of -1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxyethyl)carbamate is sourced from PubChem (CID 23322200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).