tert-butyl 2,4-diaminopentanoate;hydrochloride

C9H21ClN2O2 — CID 73010870

IUPACtert-butyl 2,4-diaminopentanoate;hydrochloride
SMILESCC(N)CC(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-6(10)5-7(11)8(12)13-9(2,3)4;/h6-7H,5,10-11H2,1-4H3;1H
InChIKeyWESIZFKNZWHICV-UHFFFAOYSA-N
MW224.73 g/mol
LogP0.81
Rot. Bonds3

About tert-butyl 2,4-diaminopentanoate;hydrochloride

tert-butyl 2,4-diaminopentanoate;hydrochloride (PubChem CID 73010870) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is tert-butyl 2,4-diaminopentanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2,4-diaminopentanoate;hydrochloride
PubChem CID73010870
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC Nametert-butyl 2,4-diaminopentanoate;hydrochloride
SMILESCC(N)CC(N)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C9H20N2O2.ClH/c1-6(10)5-7(11)8(12)13-9(2,3)4;/h6-7H,5,10-11H2,1-4H3;1H
InChIKeyWESIZFKNZWHICV-UHFFFAOYSA-N
XLogP0.81
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2,4-diaminopentanoate;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

ditert-butyl (2S,4S)-2-amino-4-fluoropentanedioate;hydrochloride
CID 155412583
tert-butyl (2R)-2-amino-3-fluoropropanoate;hydrochloride
CID 171363962
ditert-butyl (2S)-2-aminobutanedioate;ditert-butyl (2R)-2-aminobutanedioate
CID 163821206
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl (2S)-2-aminopropanoate;dihydrochloride
CID 142726161
tert-butyl (2R)-2-amino-4-methoxybutanoate
CID 170904338
1-O-tert-butyl 4-O-methyl (2R)-2-aminobutanedioate
CID 14352279
tert-butyl 2-aminopent-4-enoate;hydrochloride
CID 139035813
tert-butyl (2S)-2-aminohexanoate;hydrochloride
CID 86590451
tert-butyl 2-amino-5-[[4-amino-2-bromo-5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]disulfanyl]-4-bromopentanoate
CID 87191102
tert-butyl (2S)-2-aminopent-4-ynoate
CID 44754800
tert-butyl (2S)-2-amino-4-chlorobutanoate
CID 174394130

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,4-diaminopentanoate;hydrochloride?
The IUPAC name of tert-butyl 2,4-diaminopentanoate;hydrochloride (CID 73010870) is tert-butyl 2,4-diaminopentanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2,4-diaminopentanoate;hydrochloride?
The canonical SMILES for tert-butyl 2,4-diaminopentanoate;hydrochloride is CC(N)CC(N)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl 2,4-diaminopentanoate;hydrochloride?
The InChIKey is WESIZFKNZWHICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.ClH/c1-6(10)5-7(11)8(12)13-9(2,3)4;/h6-7H,5,10-11H2,1-4H3;1H.
What are the key properties of tert-butyl 2,4-diaminopentanoate;hydrochloride?
tert-butyl 2,4-diaminopentanoate;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,4-diaminopentanoate;hydrochloride is sourced from PubChem (CID 73010870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).