3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid

C16H21NO3 — CID 82348854

IUPAC3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
SMILESO=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c18-15(19)9-14(17-13-6-7-13)16(20)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,16-17,20H,1-3,6-7,9H2,(H,18,19)
InChIKeyNMEKLGHRKZRSHJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.80
Rot. Bonds6

About 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid

3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid (PubChem CID 82348854) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
PubChem CID82348854
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid
SMILESO=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H21NO3/c18-15(19)9-14(17-13-6-7-13)16(20)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,16-17,20H,1-3,6-7,9H2,(H,18,19)
InChIKeyNMEKLGHRKZRSHJ-UHFFFAOYSA-N
XLogP1.80
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoic acid
CID 82349925
2-(cyclopropylamino)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 82289334
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
5-(2,3-dihydro-1H-inden-5-yl)-5-hydroxy-4-(2-hydroxyethylamino)pentanoic acid
CID 82348874
2-(cyclopropylamino)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82289327
3-(2,3-dihydro-1H-inden-5-yl)-3-phenylpropanoic acid
CID 82049898
methyl 4-(2,3-dihydro-1H-inden-5-yl)-3-(ethylamino)-4-hydroxybutanoate
CID 82348869
3-(2,3-dihydro-1H-inden-5-yl)hexanoic acid
CID 82045624
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3,4-dihydroxy-4-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)butanoic acid
CID 171878413
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]cycloheptanamine
CID 43094735
2-(2,3-dihydro-1H-inden-5-ylmethylamino)butanedioic acid
CID 115144370

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid?
The IUPAC name of 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid (CID 82348854) is 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid.
What is the SMILES notation for 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid?
The canonical SMILES for 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid is O=C(O)CC(NC1CC1)C(O)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid?
The InChIKey is NMEKLGHRKZRSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(19)9-14(17-13-6-7-13)16(20)12-5-4-10-2-1-3-11(10)8-12/h4-5,8,13-14,16-17,20H,1-3,6-7,9H2,(H,18,19).
What are the key properties of 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid?
3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid has a molecular weight of 275.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-4-(2,3-dihydro-1H-inden-5-yl)-4-hydroxybutanoic acid is sourced from PubChem (CID 82348854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).