(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid

C16H22N2O3 — CID 78976000

IUPAC(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)8-14(15(19)20)18-16(21)17-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20)(H2,17,18,21)/t14-/m1/s1
InChIKeySMHTZTLXPRHHTA-CQSZACIVSA-N
MW290.36 g/mol
LogP2.80
Rot. Bonds5

About (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid

(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid (PubChem CID 78976000) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
PubChem CID78976000
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O
InChIInChI=1S/C16H22N2O3/c1-10(2)8-14(15(19)20)18-16(21)17-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20)(H2,17,18,21)/t14-/m1/s1
InChIKeySMHTZTLXPRHHTA-CQSZACIVSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81085583
(2R)-2-(carbamoylamino)-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentanamide
CID 2572487
2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 61183883
2-[(3-acetamidophenyl)carbamoylamino]-4-methylpentanoic acid
CID 4909714
(2R)-4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pentanoic acid
CID 78975834
N-(2,3-dihydro-1H-inden-5-yl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798068
(2R)-2-[(4-bromo-3-methylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976471
(2S)-2-[(4-iodophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61184112
2-[(4-chloro-3-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 61468440
1-(2,3-dihydro-1H-inden-5-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 111452821
(2R)-2-[(3-ethylphenyl)carbamoylamino]-4-methylpentanoic acid
CID 78976235
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 29039496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid?
The IUPAC name of (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid (CID 78976000) is (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)C(=O)O.
What is the InChIKey of (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid?
The InChIKey is SMHTZTLXPRHHTA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)8-14(15(19)20)18-16(21)17-13-7-6-11-4-3-5-12(11)9-13/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,20)(H2,17,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid?
(2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid has a molecular weight of 290.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydro-1H-inden-5-ylcarbamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 78976000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).