(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid

C14H16N2O5 — CID 80563771

IUPAC(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C14H16N2O5/c17-12(18)6-5-10(14(20)21)16-13(19)11-7-8-3-1-2-4-9(8)15-11/h1-4,10-11,15H,5-7H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11?/m0/s1
InChIKeyZWNISGGXEXUHLP-VUWPPUDQSA-N
MW292.29 g/mol
LogP0.46
Rot. Bonds6

About (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid

(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid (PubChem CID 80563771) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
PubChem CID80563771
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid
SMILESO=C(O)CC[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)O
InChIInChI=1S/C14H16N2O5/c17-12(18)6-5-10(14(20)21)16-13(19)11-7-8-3-1-2-4-9(8)15-11/h1-4,10-11,15H,5-7H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11?/m0/s1
InChIKeyZWNISGGXEXUHLP-VUWPPUDQSA-N
XLogP0.46
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indole-2-carbonylamino)-5-methoxypentanoic acid
CID 81084026
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
benzyl (2S)-5-amino-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-5-oxopentanoate
CID 164977448
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
N-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76893181
N-(4-methoxybutan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 77048593
(2S)-N-pent-4-yn-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864201
(2S)-N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106349732
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
5-amino-5-oxo-2-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 53390036
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-2-hydroxypropanoic acid
CID 66167597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid?
The IUPAC name of (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid (CID 80563771) is (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid is O=C(O)CC[C@H](NC(=O)C1Cc2ccccc2N1)C(=O)O.
What is the InChIKey of (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid?
The InChIKey is ZWNISGGXEXUHLP-VUWPPUDQSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-12(18)6-5-10(14(20)21)16-13(19)11-7-8-3-1-2-4-9(8)15-11/h1-4,10-11,15H,5-7H2,(H,16,19)(H,17,18)(H,20,21)/t10-,11?/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid?
(2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid has a molecular weight of 292.29 g/mol, XLogP of 0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1H-indole-2-carbonylamino)pentanedioic acid is sourced from PubChem (CID 80563771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).