dipentyl (2S)-2-aminopentanedioate;hydrochloride

C15H30ClNO4 — CID 139951057

IUPACdipentyl (2S)-2-aminopentanedioate;hydrochloride
SMILESCCCCCOC(=O)CC[C@H](N)C(=O)OCCCCC.Cl
InChIInChI=1S/C15H29NO4.ClH/c1-3-5-7-11-19-14(17)10-9-13(16)15(18)20-12-8-6-4-2;/h13H,3-12,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyHJCGKBALWFTCIL-ZOWNYOTGSA-N
MW323.86 g/mol
LogP2.98
Rot. Bonds12

About dipentyl (2S)-2-aminopentanedioate;hydrochloride

dipentyl (2S)-2-aminopentanedioate;hydrochloride (PubChem CID 139951057) has the molecular formula C15H30ClNO4 and a molecular weight of 323.86 g/mol. Its IUPAC name is dipentyl (2S)-2-aminopentanedioate;hydrochloride.

Molecular Properties

Compound Namedipentyl (2S)-2-aminopentanedioate;hydrochloride
PubChem CID139951057
Molecular FormulaC15H30ClNO4
Molecular Weight323.86 g/mol
Exact Mass323.19
IUPAC Namedipentyl (2S)-2-aminopentanedioate;hydrochloride
SMILESCCCCCOC(=O)CC[C@H](N)C(=O)OCCCCC.Cl
InChIInChI=1S/C15H29NO4.ClH/c1-3-5-7-11-19-14(17)10-9-13(16)15(18)20-12-8-6-4-2;/h13H,3-12,16H2,1-2H3;1H/t13-;/m0./s1
InChIKeyHJCGKBALWFTCIL-ZOWNYOTGSA-N
XLogP2.98
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dipentyl (2S)-2-aminopentanedioate;hydrochloride 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

dihexadecyl 2-aminopentanedioate;hydrochloride
CID 78067541
dioctadecyl 2-aminopentanedioate
CID 10078023
ditetradecyl 2-aminopentanedioate
CID 14459260
dihexyl (2R)-2-aminopentanedioate
CID 87498981
dibutyl (2S)-2-aminopentanedioate;hydrochloride
CID 13126106
(8-nonoxy-8-oxooctyl) 2-aminooctanoate
CID 175126875
(2R)-2-amino-5-octoxy-5-oxopentanoic acid
CID 98550174
heptyl 4-amino-5-oxohexanoate
CID 145221030
dipotassium;(2S)-2-amino-5-octadecoxy-5-oxopentanoic acid;hydride
CID 175019891
potassium (2S)-2-amino-5-octadecoxy-5-oxopentanoate
CID 174758136
sodium;(2S)-2-amino-5-hexadecoxy-5-oxopentanoic acid;hydride
CID 175297961
dodecyl 2-aminododecanoate
CID 175586127

Frequently Asked Questions

What is the IUPAC name of dipentyl (2S)-2-aminopentanedioate;hydrochloride?
The IUPAC name of dipentyl (2S)-2-aminopentanedioate;hydrochloride (CID 139951057) is dipentyl (2S)-2-aminopentanedioate;hydrochloride.
What is the SMILES notation for dipentyl (2S)-2-aminopentanedioate;hydrochloride?
The canonical SMILES for dipentyl (2S)-2-aminopentanedioate;hydrochloride is CCCCCOC(=O)CC[C@H](N)C(=O)OCCCCC.Cl.
What is the InChIKey of dipentyl (2S)-2-aminopentanedioate;hydrochloride?
The InChIKey is HJCGKBALWFTCIL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H29NO4.ClH/c1-3-5-7-11-19-14(17)10-9-13(16)15(18)20-12-8-6-4-2;/h13H,3-12,16H2,1-2H3;1H/t13-;/m0./s1.
What are the key properties of dipentyl (2S)-2-aminopentanedioate;hydrochloride?
dipentyl (2S)-2-aminopentanedioate;hydrochloride has a molecular weight of 323.86 g/mol, XLogP of 2.98, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipentyl (2S)-2-aminopentanedioate;hydrochloride is sourced from PubChem (CID 139951057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).