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

C6H13N3O3 — CID 11949297

IUPAC(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CN)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKeyNPMKJYUCVQNWMY-IMJSIDKUSA-N
MW175.19 g/mol
LogP-2.14
Rot. Bonds4

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

(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (PubChem CID 11949297) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
PubChem CID11949297
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid
SMILESC[C@H](NC(=O)[C@@H](N)CN)C(=O)O
InChIInChI=1S/C6H13N3O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKeyNPMKJYUCVQNWMY-IMJSIDKUSA-N
XLogP-2.14
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[(2R)-2,3-diaminopropanoyl]amino]propanoic acid;dihydrochloride
CID 11949294
3-amino-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
CID 22824551
2,3-diamino-N-propan-2-ylpropanamide
CID 166956225
(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)-2-aminopropanoyl]amino]propanoic acid;hydrochloride
CID 88920207
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(15N)azanyl(1,2,3-13C3)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 132503633
(2R)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 92840389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid (CID 11949297) is (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is C[C@H](NC(=O)[C@@H](N)CN)C(=O)O.
What is the InChIKey of (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
The InChIKey is NPMKJYUCVQNWMY-IMJSIDKUSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-3(6(11)12)9-5(10)4(8)2-7/h3-4H,2,7-8H2,1H3,(H,9,10)(H,11,12)/t3-,4-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid?
(2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid has a molecular weight of 175.19 g/mol, XLogP of -2.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2,3-diaminopropanoyl]amino]propanoic acid is sourced from PubChem (CID 11949297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).