(cyclopentylamino) hydrogen carbonate

C6H11NO3 — CID 150964345

IUPAC(cyclopentylamino) hydrogen carbonate
SMILESO=C(O)ONC1CCCC1
InChIInChI=1S/C6H11NO3/c8-6(9)10-7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyLMTLMRPXIJQCII-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.13
Rot. Bonds2

About (cyclopentylamino) hydrogen carbonate

(cyclopentylamino) hydrogen carbonate (PubChem CID 150964345) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (cyclopentylamino) hydrogen carbonate.

Molecular Properties

Compound Name(cyclopentylamino) hydrogen carbonate
PubChem CID150964345
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(cyclopentylamino) hydrogen carbonate
SMILESO=C(O)ONC1CCCC1
InChIInChI=1S/C6H11NO3/c8-6(9)10-7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9)
InChIKeyLMTLMRPXIJQCII-UHFFFAOYSA-N
XLogP1.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (cyclopentylamino) hydrogen carbonate 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-(cyclohexylamino)oxy-2-oxoacetic acid
CID 174869598
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
bis(cyclohexylamino) 3-methylidenepentanedioate
CID 154089481
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
2-(cyclopentylamino)oxyacetamide
CID 112639582
(cyclopentylamino) pentanoate
CID 175087443
sodium;bis(cyclohexylamino) carbonate;benzoate
CID 175308886
(cyclobutylamino)carbamic acid
CID 67059710
bis(cyclopropylamino) butanedioate
CID 174889367
cyclopentylcarbamoperoxoic acid
CID 143557914
(cyclohexylamino) 2-methylpent-2-enoate
CID 174632655
methyl N-cyclohexadecylcarbamate
CID 131977131

Frequently Asked Questions

What is the IUPAC name of (cyclopentylamino) hydrogen carbonate?
The IUPAC name of (cyclopentylamino) hydrogen carbonate (CID 150964345) is (cyclopentylamino) hydrogen carbonate.
What is the SMILES notation for (cyclopentylamino) hydrogen carbonate?
The canonical SMILES for (cyclopentylamino) hydrogen carbonate is O=C(O)ONC1CCCC1.
What is the InChIKey of (cyclopentylamino) hydrogen carbonate?
The InChIKey is LMTLMRPXIJQCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-6(9)10-7-5-3-1-2-4-5/h5,7H,1-4H2,(H,8,9).
What are the key properties of (cyclopentylamino) hydrogen carbonate?
(cyclopentylamino) hydrogen carbonate has a molecular weight of 145.16 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclopentylamino) hydrogen carbonate is sourced from PubChem (CID 150964345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).