2-aminoacetic acid;pentan-1-ol

C7H17NO3 — CID 174655411

IUPAC2-aminoacetic acid;pentan-1-ol
SMILESCCCCCO.NCC(=O)O
InChIInChI=1S/C5H12O.C2H5NO2/c1-2-3-4-5-6;3-1-2(4)5/h6H,2-5H2,1H3;1,3H2,(H,4,5)
InChIKeyXHSVMZVSTUCBLZ-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.20
Rot. Bonds4

About 2-aminoacetic acid;pentan-1-ol

2-aminoacetic acid;pentan-1-ol (PubChem CID 174655411) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-aminoacetic acid;pentan-1-ol.

Molecular Properties

Compound Name2-aminoacetic acid;pentan-1-ol
PubChem CID174655411
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-aminoacetic acid;pentan-1-ol
SMILESCCCCCO.NCC(=O)O
InChIInChI=1S/C5H12O.C2H5NO2/c1-2-3-4-5-6;3-1-2(4)5/h6H,2-5H2,1H3;1,3H2,(H,4,5)
InChIKeyXHSVMZVSTUCBLZ-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminoacetic acid;pentan-1-ol 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

carbamic acid;octan-1-ol
CID 175180386
octadecan-1-ol;propanoic acid
CID 158858583
butanedioic acid;octadecan-1-ol
CID 174509049
5-aminopentan-1-ol;octanoic acid
CID 21259313
heptanoic acid;bis(octadecan-1-ol);octanoic acid
CID 175488622
dodecane-1,12-diol;dodecanoic acid
CID 87364102
dodecanoic acid;hexadecan-1-ol;octadecane
CID 175592035
heptan-1-ol;2-iodoacetic acid
CID 175198935
2-bromoacetic acid;undecan-1-ol
CID 175205169
18-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989364
heptan-1-ol;hydrazine
CID 159330416
butanoic acid;butan-1-ol;pentanoic acid;pentan-1-ol
CID 161057426

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;pentan-1-ol?
The IUPAC name of 2-aminoacetic acid;pentan-1-ol (CID 174655411) is 2-aminoacetic acid;pentan-1-ol.
What is the SMILES notation for 2-aminoacetic acid;pentan-1-ol?
The canonical SMILES for 2-aminoacetic acid;pentan-1-ol is CCCCCO.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;pentan-1-ol?
The InChIKey is XHSVMZVSTUCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12O.C2H5NO2/c1-2-3-4-5-6;3-1-2(4)5/h6H,2-5H2,1H3;1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;pentan-1-ol?
2-aminoacetic acid;pentan-1-ol has a molecular weight of 163.22 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;pentan-1-ol is sourced from PubChem (CID 174655411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).