2-acetamidoethyl hydrogen carbonate

C5H9NO4 — CID 150133482

IUPAC2-acetamidoethyl hydrogen carbonate
SMILESCC(=O)NCCOC(=O)O
InChIInChI=1S/C5H9NO4/c1-4(7)6-2-3-10-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyFBSXRSRBKUIKIP-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.18
Rot. Bonds3

About 2-acetamidoethyl hydrogen carbonate

2-acetamidoethyl hydrogen carbonate (PubChem CID 150133482) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-acetamidoethyl hydrogen carbonate.

Molecular Properties

Compound Name2-acetamidoethyl hydrogen carbonate
PubChem CID150133482
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-acetamidoethyl hydrogen carbonate
SMILESCC(=O)NCCOC(=O)O
InChIInChI=1S/C5H9NO4/c1-4(7)6-2-3-10-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyFBSXRSRBKUIKIP-UHFFFAOYSA-N
XLogP-0.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamidoethyl propanoate
CID 54208768
2-acetamidoethyl 2-fluoroacetate
CID 45254008
2-acetamidoethyl iodomethyl carbonate
CID 11748163
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-acetamidoethyl prop-2-enoate
CID 23089005
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
3-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]propanamide
CID 176714971
4-(2-acetamidoethoxy)-2-aminobut-3-enoic acid
CID 54425820
2-acetamidoethyl 1-chloroethyl carbonate
CID 23019510
2-acetamidoethyl 2-phenylacetate
CID 139889118
3-[2-[2-[2-[2-[2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 59584462
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]acetamide
CID 54494115

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoethyl hydrogen carbonate?
The IUPAC name of 2-acetamidoethyl hydrogen carbonate (CID 150133482) is 2-acetamidoethyl hydrogen carbonate.
What is the SMILES notation for 2-acetamidoethyl hydrogen carbonate?
The canonical SMILES for 2-acetamidoethyl hydrogen carbonate is CC(=O)NCCOC(=O)O.
What is the InChIKey of 2-acetamidoethyl hydrogen carbonate?
The InChIKey is FBSXRSRBKUIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-4(7)6-2-3-10-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of 2-acetamidoethyl hydrogen carbonate?
2-acetamidoethyl hydrogen carbonate has a molecular weight of 147.13 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoethyl hydrogen carbonate is sourced from PubChem (CID 150133482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).