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

C6H15Cl2N3O3 — CID 11949294

IUPAC(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
SMILESC[C@@H](NC(=O)[C@H](N)CN)C(=O)O.Cl.Cl
InChIInChI=1S/C6H13N3O3.2ClH/c1-3(6(11)12)9-5(10)4(8)2-7;;/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m1../s1
InChIKeyVCBDQKLZFANQQB-XWJKVJTJSA-N
MW248.11 g/mol
LogP-1.29
Rot. Bonds4

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

(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride (PubChem CID 11949294) has the molecular formula C6H15Cl2N3O3 and a molecular weight of 248.11 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
PubChem CID11949294
Molecular FormulaC6H15Cl2N3O3
Molecular Weight248.11 g/mol
Exact Mass247.05
IUPAC Name(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
SMILESC[C@@H](NC(=O)[C@H](N)CN)C(=O)O.Cl.Cl
InChIInChI=1S/C6H13N3O3.2ClH/c1-3(6(11)12)9-5(10)4(8)2-7;;/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m1../s1
InChIKeyVCBDQKLZFANQQB-XWJKVJTJSA-N
XLogP-1.29
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride 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

(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
CID 11949297
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225
2-[[(2S)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2R)-2,6-diaminohexanoyl]amino]propanoic acid
CID 54238921
(2S)-2-(2,6-diaminohexanoylamino)propanoic acid
CID 130447045
2-aminoacetic acid;(2R)-2-(2-aminopropanoylamino)propanoic acid
CID 88604532
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
(2S)-2-(2-aminohexanoylamino)propanoic acid
CID 51063258
2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]propanoic acid;dihydrochloride
CID 160584478
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride?
The IUPAC name of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride (CID 11949294) is (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride.
What is the SMILES notation for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride?
The canonical SMILES for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride is C[C@@H](NC(=O)[C@H](N)CN)C(=O)O.Cl.Cl.
What is the InChIKey of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride?
The InChIKey is VCBDQKLZFANQQB-XWJKVJTJSA-N. The full InChI is InChI=1S/C6H13N3O3.2ClH/c1-3(6(11)12)9-5(10)4(8)2-7;;/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12);2*1H/t3-,4-;;/m1../s1.
What are the key properties of (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride?
(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride has a molecular weight of 248.11 g/mol, XLogP of -1.29, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride is sourced from PubChem (CID 11949294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).