[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate

C6H12N2O3 — CID 54111393

IUPAC[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(=O)[C@@H](C)N
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,7-8H2,1-2H3/t3-,4-/m1/s1
InChIKeyNHJBLCGVMVJTBN-QWWZWVQMSA-N
MW160.17 g/mol
LogP-1.25
Rot. Bonds2

About [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate

[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate (PubChem CID 54111393) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate.

Molecular Properties

Compound Name[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
PubChem CID54111393
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate
SMILESC[C@@H](N)C(=O)OC(=O)[C@@H](C)N
InChIInChI=1S/C6H12N2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,7-8H2,1-2H3/t3-,4-/m1/s1
InChIKeyNHJBLCGVMVJTBN-QWWZWVQMSA-N
XLogP-1.25
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-bromopropanoyl (2S)-2-aminopropanoate
CID 87794605
carbamoyl (2R)-2-aminopropanoate
CID 139238224
acetyl (2R)-2-aminopropanoate
CID 11829476
[(2S)-2-aminopropanoyl] (2S,3S)-2-amino-3-methylpentanoate
CID 57005040
bis(2-aminopropanoyl) butanedioate
CID 90109701
bis(2-aminopropanoyl) (Z)-but-2-enedioate
CID 90107936
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;2-aminopropanoyl 2-aminopropanoate
CID 161333292
methyl 2-aminopropanoate
CID 159707893
ethoxycarbonyl (2S)-2-aminopropanoate
CID 57068155
(2-methylpropan-2-yl)oxycarbonyl (2S)-2-aminopropanoate
CID 54386102
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl (2S)-2-aminopropanoate
CID 13089460

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate?
The IUPAC name of [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate (CID 54111393) is [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate.
What is the SMILES notation for [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate?
The canonical SMILES for [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate is C[C@@H](N)C(=O)OC(=O)[C@@H](C)N.
What is the InChIKey of [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate?
The InChIKey is NHJBLCGVMVJTBN-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3(7)5(9)11-6(10)4(2)8/h3-4H,7-8H2,1-2H3/t3-,4-/m1/s1.
What are the key properties of [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate?
[(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate has a molecular weight of 160.17 g/mol, XLogP of -1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-aminopropanoyl] (2R)-2-aminopropanoate is sourced from PubChem (CID 54111393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).