(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid

C11H15NO4 — CID 176961749

IUPAC(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid
SMILESC[C@H](O)C(=O)N[C@@H](CC1=CCC=C1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7(13)10(14)12-9(11(15)16)6-8-4-2-3-5-8/h2,4-5,7,9,13H,3,6H2,1H3,(H,12,14)(H,15,16)/t7-,9-/m0/s1
InChIKeyGSEPLENVWAGMMV-CBAPKCEASA-N
MW225.24 g/mol
LogP0.21
Rot. Bonds5

About (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid

(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid (PubChem CID 176961749) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid
PubChem CID176961749
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid
SMILESC[C@H](O)C(=O)N[C@@H](CC1=CCC=C1)C(=O)O
InChIInChI=1S/C11H15NO4/c1-7(13)10(14)12-9(11(15)16)6-8-4-2-3-5-8/h2,4-5,7,9,13H,3,6H2,1H3,(H,12,14)(H,15,16)/t7-,9-/m0/s1
InChIKeyGSEPLENVWAGMMV-CBAPKCEASA-N
XLogP0.21
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid with MolForge

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Related Compounds

2-[2,6-bis(methylamino)hexanoylamino]-3-cyclohepta-1,4,6-trien-1-ylpropanoic acid;ethane
CID 142905881
3-cyclohepta-1,3,6-trien-1-yl-2-(methylamino)propanoic acid
CID 123974730
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
potassium 2-(2-hydroxypropanoylamino)-3-sulfidosulfanylpropanoic acid
CID 164901844
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]pentanedioic acid
CID 170835683
2-[[(2S,3R,4S)-2-amino-4-hydroxy-3-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 67445948
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017548
(2R)-2-[[(3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 155171165
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 171150433
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
(2S)-2-[[(2R)-2-hydroxypropanoyl]amino]-5-[[(2S)-2-hydroxypropanoyl]amino]pentanoic acid
CID 124797786

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid (CID 176961749) is (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid is C[C@H](O)C(=O)N[C@@H](CC1=CCC=C1)C(=O)O.
What is the InChIKey of (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid?
The InChIKey is GSEPLENVWAGMMV-CBAPKCEASA-N. The full InChI is InChI=1S/C11H15NO4/c1-7(13)10(14)12-9(11(15)16)6-8-4-2-3-5-8/h2,4-5,7,9,13H,3,6H2,1H3,(H,12,14)(H,15,16)/t7-,9-/m0/s1.
What are the key properties of (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid?
(2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopenta-1,4-dien-1-yl-2-[[(2S)-2-hydroxypropanoyl]amino]propanoic acid is sourced from PubChem (CID 176961749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).