tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride

C10H21ClN2O3 — CID 15600049

IUPACtert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5;/h6-7H,11H2,1-5H3,(H,12,13);1H/t6-,7-;/m0./s1
InChIKeyOVTLRMKNRNPEBY-LEUCUCNGSA-N
MW252.74 g/mol
LogP0.60
Rot. Bonds3

About tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride

tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride (PubChem CID 15600049) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride
PubChem CID15600049
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Nametert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride
SMILESC[C@H](N)C(=O)N[C@@H](C)C(=O)OC(C)(C)C.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5;/h6-7H,11H2,1-5H3,(H,12,13);1H/t6-,7-;/m0./s1
InChIKeyOVTLRMKNRNPEBY-LEUCUCNGSA-N
XLogP0.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;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

2-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
CID 333461
tert-butyl (2S)-2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoate
CID 71454071
N-((1,1-Dimethylethoxy)carbonyl)-L-alanyl-L-alanine
CID 6992569
N-[N-Boc-D-alaninyl]-D-alanine
CID 86308274
Tert-butyl 2-(2-aminoacetamido)acetate
CID 15403805
Tert-butyl 2-[2-(2-aminoacetamido)acetamido]acetate
CID 22418648
N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
methyl (2S)-2-((2S)-2-aminopropanamido)propanoate hydrochloride
CID 13967281
methyl (2R)-2-[(2R)-2-aminopropanamido]propanoate hydrochloride
CID 56924290
Tert-butyl 2-[(carbamoylmethyl)amino]acetate
CID 60681794
N-acetyl-L-alanyl-L-alanyl-L-alaninate
CID 7006460

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The IUPAC name of tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride (CID 15600049) is tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The canonical SMILES for tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride is C[C@H](N)C(=O)N[C@@H](C)C(=O)OC(C)(C)C.Cl.
What is the InChIKey of tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride?
The InChIKey is OVTLRMKNRNPEBY-LEUCUCNGSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-6(11)8(13)12-7(2)9(14)15-10(3,4)5;/h6-7H,11H2,1-5H3,(H,12,13);1H/t6-,7-;/m0./s1.
What are the key properties of tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride?
tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 15600049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).