(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid

C19H24N2O5 — CID 119364341

IUPAC(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2C1=O
InChIInChI=1S/C19H24N2O5/c1-4-5-8-21-17(23)13-7-6-12(10-14(13)18(21)24)16(22)20-15(19(25)26)9-11(2)3/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,20,22)(H,25,26)/t15-/m1/s1
InChIKeyNVNAPNUJCXECCH-OAHLLOKOSA-N
MW360.41 g/mol
LogP2.31
Rot. Bonds8

About (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid

(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119364341) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119364341
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2C1=O
InChIInChI=1S/C19H24N2O5/c1-4-5-8-21-17(23)13-7-6-12(10-14(13)18(21)24)16(22)20-15(19(25)26)9-11(2)3/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,20,22)(H,25,26)/t15-/m1/s1
InChIKeyNVNAPNUJCXECCH-OAHLLOKOSA-N
XLogP2.31
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-butyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119588040
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
2-butyl-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 47099803
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
N-(3-aminobutyl)-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 119498610
2-butyl-N-(2-hydroxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 78783512
2-butyl-1,3-dioxo-N-(4-propan-2-yl-1,3-thiazol-2-yl)isoindole-5-carboxamide
CID 24509689
2-butyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 46487110
2-butyl-N-[2-(ethylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 119508444
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470489
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9470488
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid (CID 119364341) is (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid is CCCCN1C(=O)c2ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc2C1=O.
What is the InChIKey of (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is NVNAPNUJCXECCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-4-5-8-21-17(23)13-7-6-12(10-14(13)18(21)24)16(22)20-15(19(25)26)9-11(2)3/h6-7,10-11,15H,4-5,8-9H2,1-3H3,(H,20,22)(H,25,26)/t15-/m1/s1.
What are the key properties of (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid?
(2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 360.41 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119364341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).