(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid

C6H14N4O3 — CID 46225594

IUPAC(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESNC[C@H](N)C(=O)NC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N4O3/c7-1-3(8)5(11)10-2-4(9)6(12)13/h3-4H,1-2,7-9H2,(H,10,11)(H,12,13)/t3-,4+/m0/s1
InChIKeyADTKSVDYXPQTID-IUYQGCFVSA-N
MW190.20 g/mol
LogP-3.20
Rot. Bonds5

About (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid

(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (PubChem CID 46225594) has the molecular formula C6H14N4O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
PubChem CID46225594
Molecular FormulaC6H14N4O3
Molecular Weight190.20 g/mol
Exact Mass190.11
IUPAC Name(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESNC[C@H](N)C(=O)NC[C@@H](N)C(=O)O
InChIInChI=1S/C6H14N4O3/c7-1-3(8)5(11)10-2-4(9)6(12)13/h3-4H,1-2,7-9H2,(H,10,11)(H,12,13)/t3-,4+/m0/s1
InChIKeyADTKSVDYXPQTID-IUYQGCFVSA-N
XLogP-3.20
TPSA144.46 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-3.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

L-Alanyl-L-alanine
CID 5484352
D-Alanyl-D-Alanine
CID 5460362
Oxalyldiaminopropionic acid
CID 2360
Albizziin
CID 92891
3-(3-Aminopropanoylamino)propanoic acid
CID 263465
(2S)-2-amino-3-[(2-bromoacetyl)amino]propanoic acid
CID 3036066
Albizziine
CID 348153
DL-Alanyl-DL-alanine
CID 601
Dencichine
CID 440259
alanyl-D-alanine
CID 96796
(2S)-2-amino-3-acetamidopropanoic acid
CID 12760440
D-alanyl-L-alanine
CID 439360

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (CID 46225594) is (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is NC[C@H](N)C(=O)NC[C@@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The InChIKey is ADTKSVDYXPQTID-IUYQGCFVSA-N. The full InChI is InChI=1S/C6H14N4O3/c7-1-3(8)5(11)10-2-4(9)6(12)13/h3-4H,1-2,7-9H2,(H,10,11)(H,12,13)/t3-,4+/m0/s1.
What are the key properties of (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
(2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid has a molecular weight of 190.20 g/mol, XLogP of -3.20, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 46225594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).