2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid

C16H21N3O4 — CID 23318222

IUPAC2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1
InChIInChI=1S/C16H21N3O4/c20-14(21)10-18-15(22)13(9-11-5-2-1-3-6-11)19-16(23)12-7-4-8-17-12/h1-3,5-6,12-13,17H,4,7-10H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyAJBQTGZIZQXBLT-UHFFFAOYSA-N
MW319.36 g/mol
LogP-0.33
Rot. Bonds7

About 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid

2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid (PubChem CID 23318222) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
PubChem CID23318222
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1
InChIInChI=1S/C16H21N3O4/c20-14(21)10-18-15(22)13(9-11-5-2-1-3-6-11)19-16(23)12-7-4-8-17-12/h1-3,5-6,12-13,17H,4,7-10H2,(H,18,22)(H,19,23)(H,20,21)
InChIKeyAJBQTGZIZQXBLT-UHFFFAOYSA-N
XLogP-0.33
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[(2R)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetate
CID 10643197
3-phenyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223664
ethane;N-[4-methyl-1-oxo-1-[[1-oxo-1-(2-oxopropylamino)-3-phenylpropan-2-yl]amino]pentan-2-yl]pyrrolidine-2-carboxamide;sulfur monoxide
CID 143783656
(2S)-6-amino-2-[[2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]hexanoic acid
CID 10138602
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-3-sulfanylpropanoic acid
CID 18223658
5-oxo-N-[1-oxo-3-phenyl-1-(pyrrolidine-2-carbonylamino)propan-2-yl]pyrrolidine-2-carboxamide
CID 69292399
2-[[2-(pyrrolidine-2-carbonylamino)-3-sulfanylpropanoyl]amino]acetic acid
CID 18223501
2-[[(2R)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]acetic acid
CID 51037953
(4S)-5-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 10118825
(3S)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxo-3-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 14151468
3-methyl-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]pentanoic acid
CID 18223662
[1-hydroxy-4-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]-1-phosphonobutyl]phosphonic acid
CID 10458387

Frequently Asked Questions

What is the IUPAC name of 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid (CID 23318222) is 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid is O=C(O)CNC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1.
What is the InChIKey of 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid?
The InChIKey is AJBQTGZIZQXBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-14(21)10-18-15(22)13(9-11-5-2-1-3-6-11)19-16(23)12-7-4-8-17-12/h1-3,5-6,12-13,17H,4,7-10H2,(H,18,22)(H,19,23)(H,20,21).
What are the key properties of 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid?
2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid has a molecular weight of 319.36 g/mol, XLogP of -0.33, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 23318222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).