4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid

C20H23NO2 — CID 122045757

IUPAC4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-20(23)13-11-17(14-15-6-2-1-3-7-15)21-19-12-10-16-8-4-5-9-18(16)19/h1-9,17,19,21H,10-14H2,(H,22,23)
InChIKeyNIWVQRXJFZKMEA-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.74
Rot. Bonds7

About 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid

4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid (PubChem CID 122045757) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
PubChem CID122045757
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC1CCc2ccccc21
InChIInChI=1S/C20H23NO2/c22-20(23)13-11-17(14-15-6-2-1-3-7-15)21-19-12-10-16-8-4-5-9-18(16)19/h1-9,17,19,21H,10-14H2,(H,22,23)
InChIKeyNIWVQRXJFZKMEA-UHFFFAOYSA-N
XLogP3.74
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(cyclooctylamino)-5-phenylpentanoic acid
CID 122046085
2-(2,3-dihydro-1H-inden-1-ylamino)propane-1,3-diol
CID 65315582
(2S)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-3-phenylpropanamide
CID 61156315
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
4-[[2-(2-chlorophenyl)cyclopentyl]amino]-5-phenylpentanoic acid
CID 122045943
4-[(4-cyclopropylphenyl)methylamino]-5-phenylpentanoic acid
CID 122045700
4-[(1-benzylpiperidin-4-yl)amino]-5-phenylpentanoic acid
CID 122046074
N-(2,3-dihydro-1H-inden-1-yl)-4-(2,3-dihydro-1H-inden-1-ylamino)-4-hydroxybutanamide
CID 134345086
(2R)-2-[(5-bromo-2,3-dihydro-1H-inden-1-yl)amino]-3-phenylpropan-1-ol
CID 104926175
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-5-phenylpentanoic acid
CID 122010016
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid (CID 122045757) is 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid is O=C(O)CCC(Cc1ccccc1)NC1CCc2ccccc21.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid?
The InChIKey is NIWVQRXJFZKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c22-20(23)13-11-17(14-15-6-2-1-3-7-15)21-19-12-10-16-8-4-5-9-18(16)19/h1-9,17,19,21H,10-14H2,(H,22,23).
What are the key properties of 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid?
4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid has a molecular weight of 309.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-1-ylamino)-5-phenylpentanoic acid is sourced from PubChem (CID 122045757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).