2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid

C16H21NO3 — CID 43176189

IUPAC2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO3/c1-3-10(2)14(16(19)20)17-15(18)13-8-7-11-5-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLHFYBFNWSOBLJB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.40
Rot. Bonds5

About 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid

2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid (PubChem CID 43176189) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
PubChem CID43176189
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H21NO3/c1-3-10(2)14(16(19)20)17-15(18)13-8-7-11-5-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyLHFYBFNWSOBLJB-UHFFFAOYSA-N
XLogP2.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
(2S,3S)-2-[(3,4-dihydroxybenzoyl)amino]-3-methylpentanoic acid
CID 107728036
(2S)-2-[(3-amino-4-chlorobenzoyl)amino]-3-methylpentanoic acid
CID 61174170
N-[1-(2,3-dihydro-1H-inden-5-ylamino)-3-methyl-1-oxopentan-2-yl]-4-methylbenzamide
CID 42704155
(2S)-3-methyl-2-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]pentanoic acid
CID 102710671
(2S,3S)-2-[(4-acetylbenzoyl)amino]-3-methylpentanoic acid
CID 119193795
2-[(4-hydroxy-3-methylbenzoyl)amino]-3-methylpentanoic acid
CID 107674660
methyl (2R)-3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)butanoate
CID 51681667
N-(1-bromobutan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 114307626
(2S)-2-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-3-methylpentanoic acid
CID 61173425
methyl 3-(2,3-dihydro-1H-indene-5-carbonylamino)pentanoate
CID 112533171

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid?
The IUPAC name of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid (CID 43176189) is 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid?
The InChIKey is LHFYBFNWSOBLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-10(2)14(16(19)20)17-15(18)13-8-7-11-5-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid?
2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylpentanoic acid is sourced from PubChem (CID 43176189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).