2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine

C10H24N2O3 — CID 174330737

IUPAC2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine
SMILESCCCCCNC(C)(O)C(=O)O.CNC
InChIInChI=1S/C8H17NO3.C2H7N/c1-3-4-5-6-9-8(2,12)7(10)11;1-3-2/h9,12H,3-6H2,1-2H3,(H,10,11);3H,1-2H3
InChIKeyBOCBPJIGZJWEOG-UHFFFAOYSA-N
MW220.31 g/mol
LogP0.39
Rot. Bonds6

About 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine

2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine (PubChem CID 174330737) has the molecular formula C10H24N2O3 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine.

Molecular Properties

Compound Name2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine
PubChem CID174330737
Molecular FormulaC10H24N2O3
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine
SMILESCCCCCNC(C)(O)C(=O)O.CNC
InChIInChI=1S/C8H17NO3.C2H7N/c1-3-4-5-6-9-8(2,12)7(10)11;1-3-2/h9,12H,3-6H2,1-2H3,(H,10,11);3H,1-2H3
InChIKeyBOCBPJIGZJWEOG-UHFFFAOYSA-N
XLogP0.39
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine 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-methyl-2-(nonylamino)propanoic acid
CID 65263943
1-(dodecylamino)ethane-1,1-diol
CID 23198053
2-ethyl-2-(hexylamino)butanoic acid
CID 79804258
2,2-dichloro-2-(icosylamino)acetic acid
CID 141336439
1,1-bis(octylamino)ethanol
CID 87347011
2-methyl-2-[[(Z)-octadec-9-enyl]amino]propanedioic acid
CID 141136168
2,3-dimethyl-3-(nonylamino)butan-2-ol
CID 106189952
2-(docosylamino)-4-hydroxy-2-(2-hydroxyethyl)butanoic acid
CID 158170321
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-(pentylamino)propane-2-sulfonic acid
CID 88933149
2-(butylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791166

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine?
The IUPAC name of 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine (CID 174330737) is 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine.
What is the SMILES notation for 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine?
The canonical SMILES for 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine is CCCCCNC(C)(O)C(=O)O.CNC.
What is the InChIKey of 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine?
The InChIKey is BOCBPJIGZJWEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C2H7N/c1-3-4-5-6-9-8(2,12)7(10)11;1-3-2/h9,12H,3-6H2,1-2H3,(H,10,11);3H,1-2H3.
What are the key properties of 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine?
2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine has a molecular weight of 220.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(pentylamino)propanoic acid;N-methylmethanamine is sourced from PubChem (CID 174330737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).